1-Aminocyclohexanecarboxylic acid

HCID 1366CAS 2756-85-6

基本情報

標準SMILES: NC1(C(=O)O)CCCCC1
InChIKey: WOXWUZCRWJWTRT-UHFFFAOYSA-N
分子式: C7H13NO2
平均分子量: 143.18 g/mol
単同位体質量: 143.09462866

概要

1-amino-1-cyclohexanecarboxylic acid is an alpha-amino acid that is cyclohexanecarboxylic acid substituted by an amino group at position 1. It is functionally related to a cyclohexanecarboxylic acid.

名称と識別子

優先名称: 1-Aminocyclohexanecarboxylic acid
IUPAC: 1-aminocyclohexane-1-carboxylic acid

名称と別名

2756-85-61-Aminocyclohexanecarboxylic acidHomocycloleucine1-Aminocyclohexane-1-carboxylic acidCyclohexanecarboxylic acid, 1-amino-alpha-Aminocyclohexanecarboxylic acidalpha-Aminocyclohexanecarboxylic aicd1SE3HD391HNSC-9059DTXSID6062626RefChem:788453DTXCID1037692

名称をさらに表示

220-411-01-Amino-1-cyclohexanecarboxylic acidMFCD000014871-Amino-1-cyclohexane carboxylic acid.alpha.-Aminocyclohexanecarboxylic acid1-aminocyclohexane carboxylic acid.alpha.-Aminocyclohexanecarboxylic aicd1-azaniumylcyclohexane-1-carboxylate

データベース識別子

CAS: 2756-85-6
PubChem CID: 1366
DTXSID: DTXSID6062626
ChEMBL: CHEMBL559934
ChEBI: CHEBI:86534
UNII: 1SE3HD391H
EC Number: 220-411-0
Nikkaji: J22.856G

物性

構造計算による物性

XLogP: -1.9
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: 1
重原子数: 10
形式電荷: 0
複雑度: 139

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.