CAS 144476-54-0 DL-Alanine-13C3 (HCID 9964068)

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Basic information

CAS: 144476-54-0
Standard SMILES: [13CH3][13CH](N)[13C](=O)O
InChIKey: QNAYBMKLOCPYGJ-VMIGTVKRSA-N
Molecular formula: C3H7NO2
Average molar mass: 92.072 g/mol
Monoisotopic mass: 92.05774298

Names & identifiers

Preferred name: DL-Alanine-13C3
IUPAC: 2-amino(1,2,3-13C3)propanoic acid
English name: DL-Alanine-13C3
Molecular formula: C3H7NO2
Molecular weight: 92.12

Names & synonyms

DL-Alanine-13C3144476-54-0DL-Alanine-(1)(3)C2-amino(1,2,3-13C3)propanoic acidL-Alanine-13C3 (9CI)(~13~C_3_)AlanineDTXSID90433343<SC>DL</SC>-Alanine-13C3DL-Alanine-13C3, 99 atom % 13C(2S)-2-amino(1,2,3-(1)(3)C)propanoic acidDL-Alanine (13C?, 98%)DL-Alanine-13C3 in 0.1 M HCl

Database identifiers

CAS: 144476-54-0
PubChem CID: 9964068
DTXSID: DTXSID90433343

Properties

Computed structural properties

XLogP: -3
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 61.8

Physicochemical properties

Melting point: 289 °C · 289 °C (dec.) (lit.)
form: solid
InChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/i1+1,2+1,3+1
InChIKey: QNAYBMKLOCPYGJ-VMIGTVKRSA-N
SMILES: [13CH3][13CH](N)[13C](O)=O
UNSPSC Code: 12352209 · 12352209
NACRES: 12 · NA.12
CAS Number Unlabeled: 302 · 302-72-7
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

wgk: 3
Storage Class: 11 - Combustible Solids

Chemistry & industry

Suppliers13 total

广东恒添生物科技有限公司15603008518 · [email protected]

Aladdin Scientific[email protected]

玺标（上海）科技有限公司18512111473 18512111473 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

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Compound notes

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