Norleucine, (+-)-

HCID 9475CAS 327-57-1

基本情報

標準SMILES: CCCCC(N)C(=O)O
InChIKey: LRQKBLKVPFOOQJ-UHFFFAOYSA-N
分子式: C6H13NO2
平均分子量: 131.17 g/mol
単同位体質量: 131.09462866

概要

2-aminohexanoic acid is an alpha-amino acid that is caproic acid substituted by an amino group at position 2. It is functionally related to a hexanoic acid.

名称と識別子

優先名称: Norleucine, (+-)-
IUPAC: 2-aminohexanoic acid

名称と別名

DL-Norleucine616-06-8Norleucine, DL-(+-)-Norleucine5C81BE5GKKEINECS 210-462-7NSC 203799NSC-203799DTXSID408618742-azaniumylhexanoateNorleucine, (+-)-RefChem:854736

名称をさらに表示

DTXCID90810731210-462-7InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,92-Aminohexanoic acidH-DL-Nle-OH(+/-)-NorleucineHexanoic acid, amino-2-Aminohexanoic acid, dl-

データベース識別子

CAS: 327-57-1、616-06-8
PubChem CID: 9475
DTXSID: DTXSID40861874
ChEBI: CHEBI:36405
UNII: 5C81BE5GKK
EC Number: 210-462-7
Nikkaji: J1.268H

物性

構造計算による物性

XLogP: -1.5
極性表面積: 63.3 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: 4
重原子数: 9
形式電荷: 0
複雑度: 93.1

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.