acetyl-DL-leucine

HCID 1995CAS 1188-21-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)NC(CC(C)C)C(=O)O
InChIKey: WXNXCEHXYPACJF-UHFFFAOYSA-N
分子式: C8H15NO3
平均分子量: 173.21 g/mol
単同位体質量: 173.10519334

概要

N-acetyl-leucine is a N-acetyl-amino acid and a leucine derivative.

名称と識別子

優先名称: acetyl-DL-leucine
IUPAC: 2-acetamido-4-methylpentanoic acid

名称と別名

N-Acetyl-DL-leucineAcetylleucine99-15-02-acetamido-4-methylpentanoic acidAcetileucinaAcetyl-DL-leucineAcetylleucinumAcetylleucine, dl-NSC-122020K76S41V71XNSC-758152RefChem:109167

名称をさらに表示

N07CA04202-734-9Ac-DL-Leu-OHTanganilAcetylleucine [INN](R,S)-N-AcetylleucinAcetyl DL-leucineL-Leucine, N-acetyl-

データベース識別子

CAS: 1188-21-2、99-15-0
PubChem CID: 1995
DTXSID: DTXSID40859594
ChEMBL: CHEMBL1875805
ChEBI: CHEBI:166830
UNII: K76S41V71X
EC Number: 202-734-9
Nikkaji: J23.190H

物性

構造計算による物性

XLogP: 0.5
極性表面積: 66.4 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: 4
重原子数: 12
形式電荷: 0
複雑度: 177

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

Danger

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.