(alphaS)-alpha-Aminocyclohexaneacetic acid

HCID 736848CAS 14328-51-9

基本情報

標準SMILES: N[C@H](C(=O)O)C1CCCCC1
InChIKey: WAMWSIDTKSNDCU-ZETCQYMHSA-N
分子式: C8H15NO2
平均分子量: 157.21 g/mol
単同位体質量: 157.11027872

名称と識別子

優先名称: (alphaS)-alpha-Aminocyclohexaneacetic acid
IUPAC: (2S)-2-amino-2-cyclohexylacetic acid

名称と別名

14328-51-9L-CyclohexylglycineCyclohexylglycine, (S)-Cyclohexylglycine, (+)-59Q5O5615ECyclohexaneacetic acid, alpha-amino-, (alphaS)-RefChem:405772(alphaS)-alpha-Aminocyclohexaneacetic acidh-chg-ohl-alpha-cyclohexylglycine(S)-2-amino-2-cyclohexylacetic acidh-cyclohexyl-gly-oh

名称をさらに表示

(2S)-2-amino-2-cyclohexylacetic acid2-Cyclohexyl-L-glycineCYCLOHEXYLGLYCYL(2s)-amino(cyclohexyl)acetic acidMFCD01311679CYCLOHEXYL-GLYCINECHEMBL382372(2S)-amino(cyclohexyl)ethanoic acid

データベース識別子

CAS: 14328-51-9
PubChem CID: 736848
DTXSID: DTXSID90353118
ChEMBL: CHEMBL382372
UNII: 59Q5O5615E
EC Number: 604-343-2
Nikkaji: J58.539D

物性

構造計算による物性

XLogP: -1
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: 2
重原子数: 11
形式電荷: 0
複雑度: 141

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.