N-Methyl-L-valine

HCID 444080CAS 2480-23-1

基本情報

標準SMILES: CN[C@H](C(=O)O)C(C)C
InChIKey: AKCRVYNORCOYQT-YFKPBYRVSA-N
分子式: C6H13NO2
平均分子量: 131.17 g/mol
単同位体質量: 131.09462866

名称と識別子

優先名称: N-Methyl-L-valine
IUPAC: (2S)-3-methyl-2-(methylamino)butanoic acid

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: -1.5
極性表面積: 49.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 9
形式電荷: 0
複雑度: 101

安全と法規制

GHS分類

GHS Classification · 5 件

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.