L-Alanine-13C, d1

CAT: 0127-DE2172Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-DE2172Size:1 Each

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CAS Number

160033-81-8

Purity

98%

Smiles

OC([C@](N)([2H])[13CH3])=O

Chemical Information

L-Alanine-13C,d1

CAS Number	160033-81-8
PubChem CID	102269846
IUPAC Name	(2S)-2-amino-2-deuterio(313C)propanoic acid
Molecular Formula	C3H7NO2
Molecular Weight	91.09
XLogP	-3
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	61

SMILES

[2H][C@]([13CH3])(C(=O)O)N

InChI

InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1,2D

InChIKey

QNAYBMKLOCPYGJ-LFEAEDJLSA-N

Chemical Structure

2D Structure

CAS: 160033-81-8

CID: 102269846

Formula: C3H7NO2

MW: 91.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	91.09
XLogP3	-3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	91.057310047
Monoisotopic Mass	91.057310047
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	61.8
Isotope Atom Count	2
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-N0229S6-01	L-Alanine-3-13C
HY-N0229S7-01	L-Alanine-2-13C
HY-N0229S4-01	L-Alanine-13C, d1
HY-N0229S1-01	L-Alanine-1-13C
HY-N0229S-01	L-Alanine-2-13C,15N
HY-N0229S11-01	L-Alanine-1-13C,15N
HY-N0230S5	β-Alanine-13C
HY-141929S-01	β-aminomethyl-L-alanine-13C,15N2 (dihydrochloride)
469730-01	β-Methylamino-L-alanine-13C,15N2 Dihydrochloride
TRC-B209854-10MG	N-Benzoyl-L-tyrosyl-L-alanine-1-13C