N,N-ジメチル-1,4-シクロヘキサンジアミン (cis-, trans-混合物)

N,N-Dimethyl-1,4-cyclohexanediamine

HCID 345823

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 42389-50-4
標準SMILES: CN(C)C1CCC(N)CC1
InChIKey: GNGZZWTXFNFCMU-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: N,N-Dimethyl-1,4-cyclohexanediamine
IUPAC: 4-N,4-N-dimethylcyclohexane-1,4-diamine
現地名: N,N-ジメチル-1,4-シクロヘキサンジアミン (cis-, trans-混合物)
英語名: N,N-Dimethylcyclohexane-1,4-diamine
分子式: C8H18N2
分子量: 142.24

名称と別名

N,N-Dimethyl-1,4-cyclohexanediamineRefChem:822381805-808-442389-50-4N1,N1-Dimethylcyclohexane-1,4-diamineN,N-dimethylcyclohexane-1,4-diamine167298-52-4N,N-Dimethyl-cyclohexane-1,4-diaminetrans-N1,N1-Dimethylcyclohexane-1,4-diamine4-N,4-N-dimethylcyclohexane-1,4-diamine(1R,4R)-N1,N1-Dimethylcyclohexane-1,4-Diamine1,4-Cyclohexanediamine, N1,N1-dimethyl-, trans-

名称をさらに表示

N,N-ジメチル-1,4-シクロヘキサンジアミン (cis-, trans-混合物)1-アミノ-4-(ジメチルアミノ)シクロヘキサン (cis-, trans-混合物)N1,N1-ジメチルシクロヘキサン-1,4-ジアミン1-Amino-4-(dimethylamino)cyclohexaneN4,N4-dimethylcyclohexane-1,4-diamine4-(N,N-Dimethylamino) cyclohexylamineN1,N1-Dimethyl-1,4-cyclohexanediamine1-N,1-N-diMethylcyclohexane-1,4-diaMine1,4-Cyclohexanediamine, N1,N1-dimethyl-N1,N1-DiMethyl-1,4-cyclohexanediaMine 2HCl

MFCD0665843445795-54-8MFCD20617654trans-N,N-dimethylcyclohexane-1,4-diaminecis-N1,N1-Dimethylcyclohexane-1,4-diaminetrans-N4,N4-dimethylcyclohexane-1,4-diamine(1R,4R)-N,N-Dimethyl-cyclohexane-1,4-diamineRel-(1s,4s)-N1,N1-dimethylcyclohexane-1,4-diamine

データベース識別子

CAS: 42389-50-4
PubChem CID: 345823
DTXSID: DTXSID10323338
EC Number: 805-808-4

物性

構造計算による物性

XLogP: 0.7
極性表面積: 29.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 93

物理化学的性質

沸点: 205 °C · 205°C(lit.)
比重(密度): 0.92 · 0.92±0.1 g/cm3(Predicted)
屈折率: 1.477 to · 1.4770 to 1.4810
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: clear liquid
酸解離定数(Pka): 10.63 · 10.63±0.70(Predicted)
色: Colorless to Almost colorless

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H227 (50%): Combustible liquid [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.