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120042-13-9

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Basic Information
CAS No.: 120042-13-9
Name: 2-amino-3-azido-2-methyl-propanoic acid
Molecular Structure:
Molecular Structure of 120042-13-9 (2-amino-3-azido-2-methyl-propanoic acid)
Formula: C4H8 N4 O2
Molecular Weight: 144.16
Synonyms: DL-Alanine,3-azido-2-methyl-
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 113.07000
LogP: 0.25176
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Chemistry

IUPAC Name: 2-amino-3-azido-2-methylpropanoic acid
Synonyms of 3-Azido-2-methyl-dl-alanine (CAS NO.120042-13-9): 3-Azido-2-methyl-DL-alanine ; CCRIS 3364 ; Racemic alpha-methylazidoalanine ; DL-Alanine, 3-azido-2-methyl-
CAS NO: 120042-13-9
Molecular Formula of 3-Azido-2-methyl-dl-alanine (CAS NO.120042-13-9): C4H8N4O2
Molecular Weight of 3-Azido-2-methyl-dl-alanine (CAS NO.120042-13-9): 144.1319
Molecular Structure:

H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 41.9 Å2 
SMILES: [N-]=[N+]=N/CC(N)(C(=O)O)C
InChI: InChI=1/C4H8N4O2/c1-4(5,3(9)10)2-7-8-6/h2,5H2,1H3,(H,9,10) 
InChIKey: WDJUCIRNDRCXTL-UHFFFAOYAC
Std. InChI: InChI=1S/C4H8N4O2/c1-4(5,3(9)10)2-7-8-6/h2,5H2,1H3,(H,9,10) 
Std. InChIKey: WDJUCIRNDRCXTL-UHFFFAOYSA-N

Toxicity Data With Reference

Mutation data
Test type: Mutation in microorganismsTEST SYSTEM : Bacteria - Salmonella typhimurium
Dose / time: 25 umol/plate
Reference: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 216,27,1989

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.