1-(Aminomethyl)cyclohexan-1-ol

HCID 77614CAS 4000-72-0

基本情報

標準SMILES: NCC1(O)CCCCC1
InChIKey: XUSXTHMTOSFZII-UHFFFAOYSA-N
分子式: C7H15NO
平均分子量: 129.2 g/mol
単同位体質量: 129.1153641

名称と識別子

優先名称: 1-(Aminomethyl)cyclohexan-1-ol
IUPAC: 1-(aminomethyl)cyclohexan-1-ol
英語名: (aminomethyl)cyclohexan-1-ol
分子式: C7H15NO
分子量: 129.2001

名称と別名

1-(Aminomethyl)cyclohexanol1-(Aminomethyl)cyclohexan-1-ol4000-72-0EINECS 223-648-8DTXSID80193065RefChem:426986DTXCID90115556223-648-81-(aminomethyl)-cyclohexanolMFCD062136801-Aminomethyl-cyclohexanol71412-02-7

名称をさらに表示

1-Aminomethyl-1-cyclohexanolCHEMBL18585Cyclohexanol, 1-(aminomethyl)-1-Aminomethlcyclohexanol(Aminomethyl)cyclohexan-1-ol1-(aminomethyl)-1-cyclohexanolEINECS 275-410-8amino methyl cyclohexanol

データベース識別子

CAS: 4000-72-0、71412-02-7
PubChem CID: 77614
DTXSID: DTXSID80193065
ChEMBL: CHEMBL18585
EC Number: 223-648-8、275-410-8
Nikkaji: J217.820F

物性

構造計算による物性

XLogP: 0.2
極性表面積: 46.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 86.9

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.