CAS 4442-85-7 2-Cyclohexylethylamine (HCID 20509)

部分構造検索類似構造を探す

基本情報

CAS: 4442-85-7
標準SMILES: NCCC1CCCCC1
InChIKey: HFACYWDPMNWMIW-UHFFFAOYSA-N
分子式: C8H17N
平均分子量: 127.23 g/mol
単同位体質量: 127.13609954

概要

2-Cyclohexylethanamine has been reported in Vachellia rigidula with data available.

名称と識別子

優先名称: 2-Cyclohexylethylamine
IUPAC: 2-cyclohexylethanamine
現地名: 2-シクロヘキシルエタンアミン
英語名: 2-Cyclohexyl-ethylamine hydrochloride
分子式: C8H17N
分子量: 127.23

名称と別名

2-cyclohexylethanamine2-CyclohexylethylamineCyclohexaneethanamine2-Cyclohexyl-ethylamineCyclohexaneethylamine2-AminoethylcyclohexaneETHYLAMINE, 2-CYCLOHEXYL-NSC 59005WIN 5522-2Cyclohexaneethanamine (9CI)EINECS 224-673-7NSC 44879

名称をさらに表示

シクロヘキサンエタンアミン2-シクロヘキシルエタンアミン2-シクロヘキシルエチルアミン(2-アミノエチル)シクロヘキサン(2-シクロヘキシルエチル)アミン2-シクロヘキスイルエタンアミン2-シクロヘキシルエタン-1-アミン2-cyclohexylethan-1-amineAmbal3308Win-5522-2AKOS BC-1169ASISCHEM Z95313RARECHEM AN KA 0004

BRN 26891154-12-00-00133 (Beilstein Handbook Reference)Cyclohexaneethylamine (8CI)DTXSID60196170RefChem:86628DTXCID70118661224-673-74442-85-7

データベース識別子

CAS: 4442-85-7
PubChem CID: 20509
DTXSID: DTXSID60196170

物性

構造計算による物性

XLogP: 2.4
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: 2
重原子数: 9
形式電荷: 0
複雑度: 65

物理化学的性質

融点: -15 °C · -15°C (estimate)
沸点: 96 °C/40mmHg · 96°C/40mmHg(lit.)
比重(密度): 0.8455 · 0.8455 (estimate)
屈折率: 1.463 · 1.4630-1.4670
闪点: 51 °C · 51 °C
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 10 · 10+-.0.10(Predicted)
外見: clear liquid
色: Colorless to Almost colorless
比重: 0.87 · 0.87
InChI: InChI=1S/C8H17N/c9-7-6-8-4-2-1-3-5-8/h8H,1-7,9H2
InChIKey: HFACYWDPMNWMIW-UHFFFAOYSA-N
SMILES: C1(CCN)CCCCC1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (14.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (14.3%)

安全データ

wgk: WGK 3
rtecs: KR3325000
ridadr: UN2735
hs_code: 2921.30.5000
risk_code: 22-52-36
消防法: 危-4-2-III
hazard_code: Xn
safety_code: 26
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用In the resolution system of (RS)-1-cyclohexylethylamine (CHEA) with (S)-mandelic acid (MA), the DCR (dielectrically controlled resolution) phenomenon was clearly observed.