N-Acetylvaline

HCID 227752CAS 17916-88-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)NC(C(=O)O)C(C)C
InChIKey: IHYJTAOFMMMOPX-UHFFFAOYSA-N
分子式: C7H13NO3
平均分子量: 159.18 g/mol
単同位体質量: 159.08954328

概要

N-Acetyl-Valine is a N-acyl-amino acid.

名称と識別子

優先名称: N-Acetylvaline
IUPAC: 2-acetamido-3-methylbutanoic acid

名称と別名

3067-19-42-acetamido-3-methylbutanoic acidDTXSID001031258acetyl-ValRefChem:828924DTXCID80217750202-537-8221-321-4N-AcetylvalineU83P7H9HV3N-Acetyl-DL-valineAc-DL-Val-OH

名称をさらに表示

Acetyl-DL-valineMFCD00066065n-acetyl-Valine2-Acetamido-3-Methyl-Butanoic AcidDL-Valine, N-acetyl-(R)-2-acetamido-3-methylbutanoic acidN-Acetyl-D,L-valineSCHEMBL193513

データベース識別子

CAS: 17916-88-0、3067-19-4、96-81-1
PubChem CID: 227752
DTXSID: DTXSID001031258
ChEBI: CHEBI:169985
EC Number: 202-537-8、221-321-4
Nikkaji: J1.113.413K

物性

構造計算による物性

XLogP: 0
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: 3
重原子数: 11
形式電荷: 0
複雑度: 165

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.