Isotopically Labeled Compounds

Chemicals to which isotopes have been attached in order to label specific atoms. Isotopically labeled compounds are commonly used in synthetic chemistry, characterization techniques such as NMR, and biology.

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N-Benzyl-tert-butyl-d9-amine, CDN

Discover 4000+ high-quality deuterated compounds, shipping directly from stock for speed. We offer many unique API’s, including active pharmaceutical ingredients, nitrosoamines, amino acids, steroids, gases, pesticides, and fatty acids.

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Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	1060688-77-8
Molecular Weight (g/mol)	172.3148
InChI Formula	InChI=1 S/C11H17N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8,12 H,9H2,1-3H3/i1D3,2D3,3D3
Chemical Name or Material	N-Benzyl-tert-butylamine-D9 (tert-butyl-D9)
SMILES	[2 H]C([2 H])([2 H])C(NCc1ccccc1)(C([2 H])([2 H])[2 H])C([2 H])([2 H])[2 H]
Synonym	Benzenemethanamine, N-[1,1-di(methyl-d3)ethyl-2,2,2-d3]- (ACI),N-[1,1-Di(methyl-d3)ethyl-2,2,2-d3]benzenemethanamine (ACI),N-tert-Butyl-d9-benzylamine,N-Benzyl-tert-butylamine-d9,N-Benzyl-tert-butyl-d9-amine
Recommended Storage	Room Temperature
IUPAC Name	N-benzyl-1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine
Molecular Formula	C11 D9 H8 N
Formula Weight	172.1926 g/mol

N-Benzyl Di-O-TBS Epinephrine-d3, TRC

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Specifications

Molecular Weight (g/mol)	504.867
InChI Formula	InChI=1S/C28H47NO3Si2/c1-27(2,3)33(8,9)31-25-18-17-23(19-26(25)32-34(10,11)28(4,5)6)24(30)21-29(7)20-22-15-13-12-14-16-22/h12-19,24,30H,20-21H2,1-11H3/i7D3
Chemical Name or Material	N-Benzyl Di-O-TBS Epinephrine-d3
SMILES	[2H]C([2H])([2H])N(CC(O)c1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1)Cc2ccccc2
IUPAC Name	2-[benzyl(trideuteriomethyl)amino]-1-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethanol
Molecular Formula	C28 D3 H44 N O3 Si2
Formula Weight	504.328

2-(N-Benzyl-N-methyl)aminoethanol-1,1,2,2-d4, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	1219803-10-7
Molecular Weight (g/mol)	169.26
InChI Formula	InChI=1 S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12 H,7-9H2,1H3/i7D2,8D2
Chemical Name or Material	N-Benzyl-N-methylethanolamine ethyl-1,1,2,2-d4
SMILES	[2 H]C([2 H])(O)C([2 H])([2 H])N(C)Cc1ccccc1
Synonym	Ethan-1,1,2,2-d4-ol, 2-[methyl(phenylmethyl)amino]-,2-[Methyl(phenylmethyl)amino]ethan-1,1,2,2-d4-ol,N-Benzyl-N-methylethanolamine-1,1,2,2-d4,N-Benzyl-N-methylethanolamine-D4 (ethyl-1,1,2,2,-D4)
Recommended Storage	Room Temperature
IUPAC Name	2-[benzyl(methyl)amino]-1,1,2,2-tetradeuterioethanol
Molecular Formula	C10 2H4 H11 N O
Formula Weight	169.1405 g/mol

rac N-Benzyl-N-[2-hydroxyl-2-(4-benzyloxy-3-aminophenyl)-ethyl]-3-(4-methoxyphenyl)-2-propylamine-d6, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

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Specifications

Molecular Weight (g/mol)	502.677
InChI Formula	InChI=1S/C32H36N2O3/c1-24(19-25-13-16-29(36-2)17-14-25)34(21-26-9-5-3-6-10-26)22-31(35)28-15-18-32(30(33)20-28)37-23-27-11-7-4-8-12-27/h3-18,20,24,31,35H,19,21-23,33H2,1-2H3/i1D3,19D2,24D
Chemical Name or Material	rac N-Benzyl-N-[2-hydroxyl-2-(4-benzyloxy-3-aminophenyl)-ethyl]-3-(4-methoxyphenyl)-2-propylamine-d6
SMILES	[2H]C([2H])([2H])C([2H])(N(CC(O)c1ccc(OCc2ccccc2)c(N)c1)Cc3ccccc3)C([2H])([2H])c4ccc(OC)cc4
Synonym	3-Amino-alpha-[[[2-(4-methoxyphenyl)-1-methylethyl](phenylmethyl)amino]methyl]-4-(phenylmethoxy)-benzenemethanol
IUPAC Name	1-(3-amino-4-phenylmethoxyphenyl)-2-[benzyl-[1,1,1,2,3,3-hexadeuterio-3-(4-methoxyphenyl)propan-2-yl]amino]ethanol
Molecular Formula	C32 D6 H30 N2 O3
Formula Weight	502.31

2-N,N-Dibenzyl Serine Benzyl Ester-13C3, TRC

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Specifications

Molecular Weight (g/mol)	378.438
InChI Formula	InChI=1S/C24H25NO3/c26-18-23(24(27)28-19-22-14-8-3-9-15-22)25(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21/h1-15,23,26H,16-19H2/i18+1,23+1,24+1
Chemical Name or Material	2-N,N-Dibenzyl Serine Benzyl Ester-13C3
SMILES	O[13CH2][13CH](N(Cc1ccccc1)Cc2ccccc2)[13C](=O)OCc3ccccc3
Synonym	N,N-Bis(phenylmethyl)serine Phenylmethyl Ester-13C3
IUPAC Name	benzyl 2-(dibenzylamino)-3-hydroxy(1,2,3-13C3)propanoate
Molecular Formula	13C3 C21 H25 N O3
Formula Weight	378.194

N,N-Dimethylacetamide-d{9}, 99% (Isotopic)

CAS: 116057-81-9 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.12 MDL Number: MFCD00066061 InChI Key: FXHOOIRPVKKKFG-UHFFFAOYSA-N Synonym: n,n-dimethylacetamide-d9,n,n-bis ∼2∼h_3_ methyl ∼2∼h_3_ acetamide,an,n-dimethylacetamide-d9,n,n-dimethylacetamide-d9, 99 atom % d,n,n-bis 2 h? methyl 2 h? acetamide,n,n-di 2 h? methyl 2 h? acetamide PubChem CID: 22789542 SMILES: CN(C)C(C)=O

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Specifications

PubChem CID	22789542
CAS	116057-81-9
Molecular Weight (g/mol)	87.12
MDL Number	MFCD00066061
SMILES	CN(C)C(C)=O
Synonym	n,n-dimethylacetamide-d9,n,n-bis ∼2∼h_3_ methyl ∼2∼h_3_ acetamide,an,n-dimethylacetamide-d9,n,n-dimethylacetamide-d9, 99 atom % d,n,n-bis 2 h? methyl 2 h? acetamide,n,n-di 2 h? methyl 2 h? acetamide
InChI Key	FXHOOIRPVKKKFG-UHFFFAOYSA-N
Molecular Formula	C4H9NO

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	93951-88-3
Molecular Weight (g/mol)	316.38
InChI Formula	InChI=1 S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12 H,2-3,13-14H2,1H3/i7D,8 D,11 D,12 D
Chemical Name or Material	Phthalic acid, benzylbutyl ester (3,4,5,6) D4
SMILES	[2 H]c1c([2 H])c([2 H])c(C(=O)OCc2ccccc2)c(C(=O)OCCCC)c1[2 H]
Synonym	1,2-Benzenedicarboxylic-d4 Acid 1-Butyl 2-(Phenylmethyl) Ester,Phthalic Acid-d4 Benzyl Butyl Ester,BBP-d4,Benzyl n-Butyl Phthalate-d4,Butyl Benzyl Phthalate-d4,Diacizer D 160-d4,Ketjenflex 160-d4,NSC 71001-d4,Palatinol BB-d4,S 160-d4,Sant 160-d4,Santicizer 160-d4,Santicizer C 160-d4,Santicizer S 106-d4,Santicizer S 160-d4 Sicol 160-d4,Spatozoate-d4,Unimoll BB-d4,n-Butyl Benzyl Phthalate-d4,n-Butyl Benzyl Phthalate-d4 Diester,BBP-d4
Recommended Storage	Room Temperature
IUPAC Name	2-O-benzyl 1-O-butyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Molecular Formula	C19 2H4 H16 O4
Formula Weight	316.1613 g/mol

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N,N-Dimethylformamide-d7, for NMR, 99.5 atom % D

CAS: 4472-41-7 Molecular Formula: C3H7NO MDL Number: MFCD00003286 InChI Key: ZMXDDKWLCZADIW-YYWVXINBSA-N Synonym: n,n-dimethylformamide-d7,dmf-d7,deuterated dmf,n,n-di 2h3 methyl 2h formamide,dimethyl formamide-d7,dimethylformamide d,heptadeutero-n,n-dimethylformamide,n,n-dimethylformamide-d7 dmf-d7,formamide-1-d, n,n-di methyl-d3,n,n-dimethylformamide-d7 99.5atom%d PubChem CID: 78225

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Specifications

PubChem CID	78225
CAS	4472-41-7
MDL Number	MFCD00003286
Synonym	n,n-dimethylformamide-d7,dmf-d7,deuterated dmf,n,n-di 2h3 methyl 2h formamide,dimethyl formamide-d7,dimethylformamide d,heptadeutero-n,n-dimethylformamide,n,n-dimethylformamide-d7 dmf-d7,formamide-1-d, n,n-di methyl-d3,n,n-dimethylformamide-d7 99.5atom%d
InChI Key	ZMXDDKWLCZADIW-YYWVXINBSA-N
Molecular Formula	C3H7NO

N-Acetyl-S-benzyl-d5-L-cysteine, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	1955496-81-7
Molecular Weight (g/mol)	258.348
InChI Formula	InChI=1 S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11 H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1/i2D,3 D,4 D,5 D,6 D
Chemical Name or Material	N-Acetyl-S-benzyl-d5-L-cysteine
SMILES	[2 H]c1c([2 H])c([2 H])c(CSC[C@H](NC(=O)C)C(=O)O)c([2 H])c1[2 H]
Synonym	N-Acetyl-S-benzyl-L-cysteine-D5 (phenyl-D5),N-Acetyl-S-benzyl-d5-L-cysteine,N-Acetyl-S-(phenyl-d5-methyl)-L-cysteine,(2 R)-2-Acetamido-3-(2,3,4,5,6-pentadeuteriobenzylthio)propanoic acid
Recommended Storage	Room Temperature
IUPAC Name	(2 R)-2-acetamido-3-[(2,3,4,5,6-pentadeuteriophenyl)methylsulfanyl]propanoic acid
Molecular Formula	C12 D5 H10 N O3 S
Formula Weight	258.109 g/mol

Benzyl-2,3,4,5,6-d5-dimethyl-n-dodecylammonium Bromide, CDN

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Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol)	389.468
InChI Formula	InChI=1 S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18 H,4-12,16,19-20H2,1-3H3;1 H/q+1;/p-1/i13D,14 D,15 D,17 D,18 D;
Chemical Name or Material	Benzyldodecyldimethylammonium-d5 Bromide
SMILES	[Br-].[2 H]c1c([2 H])c([2 H])c(C[N+](C)(C)CCCCCCCCCCCC)c([2 H])c1[2 H]
Synonym	Benzyldimethyldodecylammonium-D5 (phenyl-D5) bromide,N-Dodecyl-N,N-dimethylbenzene-d5-methanaminium bromide,(Benzyl-2,3,4,5-d5)dimethyldodecylammonium bromide,Benzyl-2,3,4,5,6-d5-dimethyl-n-dodecylammonium Bromide
Recommended Storage	Room Temperature
IUPAC Name	dodecyl-dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]azanium;bromide
Molecular Formula	C21 D5 H33 N . Br
Formula Weight	388.25 g/mol

Benzyl-2,3,4,5,6-d5-dimethyl-n-octylammonium Chloride, CDN

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Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol)	288.9106
InChI Formula	InChI=1 S/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14 H,4-8,12,15-16H2,1-3H3;1 H/q+1;/p-1/i9D,10 D,11 D,13 D,14 D;
Chemical Name or Material	Benzyldimethyloctylammonium D5 (phenyl D5) Chloride
SMILES	[Cl-].[2 H]c1c([2 H])c([2 H])c(C[N+](C)(C)CCCCCCCC)c([2 H])c1[2 H]
Synonym	Benzyldimethyloctylammonium D5 (phenyl D5) Chloride,Benzyl-2,3,4,5,6-d5-dimethyl-n-octylammonium Chloride
Recommended Storage	Room Temperature
IUPAC Name	dimethyl-octyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]azanium;chloride
Molecular Formula	C17 D5 H25 N . Cl
Formula Weight	288.2381 g/mol

Benzyl-2,3,4,5,6-d5-dimethyl-n-decylammonium Chloride, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol)	316.96
InChI Formula	InChI=1 S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16 H,4-10,14,17-18H2,1-3H3;1 H/q+1;/p-1/i11D,12 D,13 D,15 D,16 D;
Chemical Name or Material	Benzyldimethyldecylammonium D5 (phenyl D5) Chloride
SMILES	[Cl-].[2 H]c1c([2 H])c([2 H])c(C[N+](C)(C)CCCCCCCCCC)c([2 H])c1[2 H]
Recommended Storage	Room Temperature
IUPAC Name	butyl-dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]ammonium;chloride
Molecular Formula	C19 D5 H29 N . Cl
Formula Weight	316.2694 g/mol

Benzyl-2,3,4,5,6-d5-dimethyl-n-tetradecylammonium Chloride, CDN

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Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol)	373.0701
InChI Formula	InChI=1 S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20 H,4-14,18,21-22H2,1-3H3;1 H/q+1;/p-1/i15D,16 D,17 D,19 D,20 D;
Chemical Name or Material	Benzyldimethyltetradecylammonium D5 (phenyl D5) Chloride
SMILES	[Cl-].[2 H]c1c([2 H])c([2 H])c(C[N+](C)(C)CCCCCCCCCCCCCC)c([2 H])c1[2 H]
Synonym	Benzyldimethyltetradecylammonium D5 (phenyl D5) Chloride,N-Tetradecyl-N,N-dimethylbenzene-d5-methanaminium chloride,(Benzyl-2,3,4,5-d5)dimethyltetradecylammonium chloride
Recommended Storage	Room Temperature
IUPAC Name	dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]-tetradecylazanium;chloride
Molecular Formula	C23 D5 H37 N . Cl
Formula Weight	372.332 g/mol

Benzyl-2,3,4,5,6-d5-dimethyl-n-dodecylammonium Chloride, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol)	345.0169
InChI Formula	InChI=1 S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18 H,4-12,16,19-20H2,1-3H3;1 H/q+1;/p-1/i13D,14 D,15 D,17 D,18 D;
Chemical Name or Material	Benzyldimethyldodecylammonium D5 (phenyl D5) Chloride
SMILES	[Cl-].[2 H]c1c([2 H])c([2 H])c(C[N+](C)(C)CCCCCCCCCCCC)c([2 H])c1[2 H]
Synonym	Benzyldimethyldodecylammonium D5 (phenyl D5) Chloride,N-Dodecyl-N,N-dimethylbenzene-d5-methanaminium chloride,(Benzyl-2,3,4,5-d5)dimethyldodecylammonium chloride
Recommended Storage	Room Temperature
IUPAC Name	dodecyl-dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]azanium;chloride
Molecular Formula	C21 D5 H33 N . Cl
Formula Weight	344.3007 g/mol

Benzyl-2,3,4,5,6-d5-dimethyl-n-tetradecylammonium Bromide, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	1515861-68-3
Molecular Weight (g/mol)	417.5211
InChI Formula	InChI=1 S/C23H42N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20 H,4-14,18,21-22H2,1-3H3;1 H/q+1;/p-1/i15D,16 D,17 D,19 D,20 D;
Chemical Name or Material	Benzyl-2,3,4,5,6-d5-dimethyl-n-tetradecylammonium Bromide
SMILES	[Br-].[2 H]c1c([2 H])c([2 H])c(C[N+](C)(C)CCCCCCCCCCCCCC)c([2 H])c1[2 H]
Synonym	Benzene-2,3,4,5,6-d5-methanaminium, N,N-dimethyl-N-tetradecyl-, bromide (1:1) (ACI),N-Tetradecyl-N,N-dimethylbenzene-d5-methanaminium bromide,(Benzyl-2,3,4,5-d5)dimethyltetradecylammonium bromide,Benzyldimethyltetradecylammonium-D5 (phenyl-D5) Bromide
Recommended Storage	Room Temperature
IUPAC Name	dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]-tetradecylazanium;bromide
Molecular Formula	C23 D5 H37 N . Br
Formula Weight	416.2814 g/mol

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