N-Methyl-L-valine

HCID 444080

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Basic information

CAS: 2480-23-1
Standard SMILES: CN[C@H](C(=O)O)C(C)C
InChIKey: AKCRVYNORCOYQT-YFKPBYRVSA-N
Molecular formula: C6H13NO2
Average molar mass: 131.17 g/mol
Monoisotopic mass: 131.09462866

Names & identifiers

Preferred name: N-Methyl-L-valine
IUPAC: (2S)-3-methyl-2-(methylamino)butanoic acid

Names & synonyms

N-Methyl-L-valine2480-23-1L-Valine, N-methyl-(2S)-3-methyl-2-(methylamino)butanoic acidMaVal8JVQ5G9K5V(S)-3-Methyl-2-(methylamino)butyric acidNSC 89800UNII-8JVQ5G9K5VCHEBI:44212METHYLVALINENSC-89800

Show more names

RefChem:163725631-052-8N-Me-Val-OHmethyl-l-valineMFCD00037754N-Methyl- L-valineH-MeVal-OH(S)-3-Methyl-2-(methylamino)butanoic acid

Database identifiers

CAS: 2480-23-1
PubChem CID: 444080
ChEBI: CHEBI:44212
UNII: 8JVQ5G9K5V
EC Number: 631-052-8
Nikkaji: J441.119F

Properties

Computed structural propertiesFilling in

XLogP: -1.5
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 101

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.