CAS 3399-73-3 2-(1-Cyclohexenyl)ethylamine (HCID 76938)

部分構造検索類似構造を探す

基本情報

CAS: 3399-73-3
標準SMILES: NCCC1=CCCCC1
InChIKey: IUDMXOOVKMKODN-UHFFFAOYSA-N
分子式: C8H15N
平均分子量: 125.21 g/mol
単同位体質量: 125.12044948

概要

structure in first source

名称と識別子

優先名称: 2-(1-Cyclohexenyl)ethylamine
IUPAC: 2-(cyclohexen-1-yl)ethanamine
現地名: 2-(1-シクロヘキセニル)エチルアミン
英語名: 2-(1-Cyclohexenyl)ethylamine
分子式: C8H15N
分子量: 125.21

名称と別名

2-(1-Cyclohexenyl)ethylamineRefChem:838143399-73-31-Cyclohexene-1-ethanamine2-(cyclohex-1-en-1-yl)ethanamineCyclohexenylethylamine2-(cyclohexen-1-yl)ethanamine2-(Cyclohex-1-En-1-Yl)Ethan-1-Amine1-Cyclohexen-1-ylethylamineMFCD000120582-(1-Cyclohexen-1-yl)ethylamine88S899CWZ5

名称をさらに表示

2-(1-シクロヘキセニル)エチルアミン1-(2-アミノエチル)-1-シクロヘキセン2-(1-シクロヘキセニル)エタンアミン1-シクロヘキセン-1-エタンアミン[2-(1-シクロヘキセニル)エチル]アミンシクロヘキセニルエチルアミン2-アミノエチル-1-シクロヘキセン2-(シクロヘキサ-1-エン-1-イル)エタン-1-アミンohexenyL2-(1-CycLCyclohexenylamineRARECHEM AN KA 1280cyclohexenethylamine2-Cyclohexenyl ethylamineCyclohexen-1-ylethylamine

.beta.-(1-Cyclohexenyl)ethylamineNSC-264532-cyclohex-1-enylethylamineCyclohex-1-ene-1-ethylaminebeta-(1-Cyclohexenyl)ethylamineEINECS 222-267-4NSC 264532-Aminoethyl-1-cyclohexene

物性

構造計算による物性

XLogP: 1.3
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: 105

物理化学的性質

融点: -55 °C · -55 °C
沸点: 53 · 53-54 °C/2.5 mmHg (lit.)
比重(密度): 0.898 g/mL · 0.898 g/mL at 25 °C (lit.)
屈折率: 1.486 · 1.486-1.488
闪点: 57 °C · 57 °C
溶解性: Chloroform (Slightly), Methanol (Slightly)
酸解離定数(Pka): 10.94 · 10.94±0.10(Predicted)
外見: clear liquid
色: Colorless to Light yellow
BRN: 774030 · 774030
安定性: Light Sensitive
InChI: 1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2
InChIKey: IUDMXOOVKMKODN-UHFFFAOYSA-N
SMILES: NCCC1=CCCCC1
CAS データベース: 3399 · 3399-73-3(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Cyclohexene-1-ethanamine (3399-73-3)

化学的性質

化学的特性CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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

Aggregated GHS information provided per 46 reports by companies from 3 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 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 2735
hs_code: 29213000
risk_code: 34
消防法: 危-4-2-III
hazard_code: C
safety_code: 28A-26-45-36/37/39
hazard_class: 8
packing_group: II
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing Information1-Cyclohexene-1-ethanamine: INACTIVE

応用分野 · 1 件

使用2-(1-Cyclohexenyl)ethylamine has been employed:as substrate for allylic hydroxylation reactionin preparation of thin films and single crystals of 2-(1-cyclohexenyl)ethyl ammonium lead iodide, used to fabricate optoelectronic-compatible heterostructures