CAS 20108-78-5 Valinamide (HCID 445637)

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Basic information

CAS: 20108-78-5
Standard SMILES: CC(C)[C@H](N)C(N)=O
InChIKey: XDEHMKQLKPZERH-BYPYZUCNSA-N
Molecular formula: C5H12N2O
Average molar mass: 116.16 g/mol
Monoisotopic mass: 116.094963

Names & identifiers

Preferred name: Valinamide
IUPAC: (2S)-2-amino-3-methylbutanamide
English name: valinamide
Molecular weight: 0

Names & synonyms

ValinamideL-VALINAMIDE4540-60-7Valine amideS-ValinamideValinamide, L-(S)-2-Amino-3-methylbutanamideButanamide, 2-amino-3-methyl-, (2S)-UNII-JCM10841JEJCM10841JEDTXSID90196502RefChem:193582

Show more names

DTXCID60118993EC 402-840-7402-840-713474-14-120108-78-5(2S)-2-amino-3-methylbutanamideH-Val-NH2VALINYLAMINE

Database identifiers

CAS: 20108-78-5、4540-60-7
PubChem CID: 445637
DTXSID: DTXSID90196502
ChEMBL: CHEMBL1229079
UNII: JCM10841JE
EC Number: 402-840-7
Nikkaji: J508.309E

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 69.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 90.4

Physicochemical properties

pka: 1 · pKa1 7.72(25℃)
EWG's Food Scores: 2 · 2-3
FDA UNII: 10841 JE · JCM10841JE
Symbol(GHS): 8 · GHS08
Signal word: Warning
Hazard statements: 317 · H317-H319-H361f
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xn
Risk Statements: 36 · 36-43-62
Safety Statements: 26 · 26-36/37
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P203, P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P318, P321, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P203, P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P318, P321, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/5037

Hazard Classes and Categories · 2 items

Reproductive toxicity - category 2

Repr. 2

Safety data

risk_code: 36-43-62
Signal word: Warning
Symbol(GHS): GHS08
hazard_code: Xn
safety_code: 26-36/37
Hazard statements: H317-H319-H361f
REACH Registrations: Inactive
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P