[1-(Aminomethyl)cyclohexyl]methanamine

HCID 71994CAS 36510-95-9

基本情報

標準SMILES: NCC1(CN)CCCCC1
InChIKey: XZAHJRZBUWYCBM-UHFFFAOYSA-N
分子式: C8H18N2
平均分子量: 142.24 g/mol
単同位体質量: 142.14699858

名称と識別子

優先名称: [1-(Aminomethyl)cyclohexyl]methanamine
IUPAC: [1-(aminomethyl)cyclohexyl]methanamine

名称と別名

[1-(aminomethyl)cyclohexyl]methanamine4441-55-8(1-(aminomethyl)cyclohexyl)methanamineRefChem:391823970-237-0cyclohexane-1,1-diyldimethanamine36510-95-9bis (aminomethyl) cyclohexaneGabapentine Impurity 25di(aminomethyl)-cyclohexanecyclohexanebis (methylamine)1,1-Cyclohexanedimethanamine

名称をさらに表示

SCHEMBL34979DTXSID60275717XZAHJRZBUWYCBM-UHFFFAOYSA-NEAA44155(Cyclohexane-1,1-diyl)dimethanamineAKOS006340004AT318901-[1-(aminomethyl)cyclohexyl]methanamine

データベース識別子

CAS: 36510-95-9、4441-55-8
PubChem CID: 71994
DTXSID: DTXSID60275717
EC Number: 970-237-0

物性

構造計算による物性

XLogP: 0.6
極性表面積: 52 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: 2
重原子数: 10
形式電荷: 0
複雑度: 89.4

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.