4-tert-ブチルシクロヘキシルアミン

4-tert-Butylcyclohexylamine

HCID 79396CAS 2163-34-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)C1CCC(N)CC1
InChIKey: BGNLXETYTAAURD-UHFFFAOYSA-N
分子式: C10H21N
平均分子量: 155.28 g/mol
単同位体質量: 155.16739967

概要

structure given in first source

名称と識別子

優先名称: 4-tert-Butylcyclohexylamine
IUPAC: 4-tert-butylcyclohexan-1-amine
英語名: 4-tert-Butylcyclohexanamine
分子式: C10H21N
分子量: 155.28

名称と別名

5400-88-44-tert-Butylcyclohexylamine4-t-ButylcyclohexylamineDTXSID002023204-t-Bu-cyclohexylamineRefChem:100519DTXCID00124811226-444-74-(tert-Butyl)cyclohexanamine2163-33-92163-34-04-tert-butylcyclohexanamine

名称をさらに表示

trans-4-t-butylcyclohexylaminetrans-4-tert-Butyl-cyclohexylamine(1r,4r)-4-(tert-butyl)cyclohexanamine(1r,4r)-4-(tert-butyl)cyclohexan-1-aminetrans-4-(1,1-Dimethylethyl)cyclohexanamineTrans-4-(Tert-Butyl)Cyclohexanamine(WXC00784)Cyclohexanamine, 4-(1,1-dimethylethyl)-, trans-

4-tert-butylcyclohexan-1-amine4-Amino-1-tert-butylcyclohexaneCIS-1-AMINO-4-TERT-BUTYLCYCLOHEXANETRANS-4-(TERT-BUTYL)CYCLOHEXANAMINE4-(tert-butyl)cyclohexan-1-aminecis-4-tert-butylcyclohexanamineMFCD00013763MFCD20690546

データベース識別子

CAS: 2163-34-0、5400-88-4
PubChem CID: 79396
DTXSID: DTXSID00202320
ChEMBL: CHEMBL1097725
EC Number: 226-444-7
Nikkaji: J217.962H、J3.087.037I

物性

構造計算による物性

XLogP: 2.8
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 115

物理化学的性質

融点: 81 · 81-83 °C
沸点: 142 · 142-145 °C(Press: 19 Torr)
比重(密度): 0.861 · 0.861±0.06 g/cm3(Predicted)
酸解離定数(Pka): 10.58 · 10.58±0.70(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.