2-(ジメチルアミノ)-1-クロロエタン

2-Chloro-N,N-dimethylethylamine

HCID 7901CAS 107-99-3

基本情報

標準SMILES: CN(C)CCCl
InChIKey: WQMAANNAZKNUDL-UHFFFAOYSA-N
分子式: C4H10ClN
平均分子量: 107.58 g/mol
単同位体質量: 107.050177

概要

2-dimethylaminoethyl chloride is a tertiary amino compound consisting of one 2-chloroethyl and two methyl groups covalently bound to a nitrogen atom. It is an organochlorine compound and a tertiary amino compound. It is a conjugate base of a 2-dimethylammonioethyl chloride.

名称と識別子

優先名称: 2-Chloro-N,N-dimethylethylamine
IUPAC: 2-chloro-N,N-dimethylethanamine
現地名: 2-(ジメチルアミノ)-1-クロロエタン
英語名: 2-Chloroethyldimethylamine
分子式: C4H10ClN
分子量: 107.58

名称と別名

107-99-3(2-Chloroethyl)dimethylamineDimethylaminoethyl chlorideEthanamine, 2-chloro-N,N-dimethyl-2-ChloroethyldimethylamineChloro(dimethylamino)ethaneN,N-Dimethylaminoethyl chloride2-Dimethylaminoethylchloride2-(Dimethylamino)ethyl chloride2-chloro-N,N-dimethylethylamineCCRIS 5796N,N-Dimethyl(2-chloroethyl)amine

名称をさらに表示

N,N-ジメチル-2-クロロエタンアミン2-クロロ-N,N-ジメチルエタンアミン2-(ジメチルアミノ)-1-クロロエタンβ-クロロエチルジメチルアミン1-クロロ-2-(ジメチルアミノ)エタン2-(ジメチルアミノ)エチルクロリドN,N-ジメチル-2-クロロエチルアミンN,N-ｼﾞﾒﾁﾙｱﾐﾉｴﾁﾙ-2-ｸﾛﾗｲﾄﾞ2-chloro-N,N-dimethylethan-1-amine2-Chloro-N,N-dimethylethanamineN-(2-Chloroethyl)-N,N-dimethylamine181019Chlorphenamine Impurity 1Dimethylaminochloroethaneβ-ChloroethyldimethylamineDIMETHYL2-CHLOROETHYLAMINE

ETHYLAMINE, 2-CHLORO-N,N-DIMETHYL-EINECS 203-540-79UK81G2OHJBRN 0605280DTXSID20593564-04-00-00444 (Beilstein Handbook Reference)NSC-1917NSC-123444

データベース識別子

CAS: 107-99-3
PubChem CID: 7901
DTXSID: DTXSID2059356
ChEMBL: CHEMBL3580424
ChEBI: CHEBI:78155
UNII: 9UK81G2OHJ
EC Number: 203-540-7
Nikkaji: J26.199H

物性

構造計算による物性

XLogP: 0.3
極性表面積: 3.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 28.7

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

沸点: 160.72 °C · 160.72°C (rough estimate)
比重(密度): 0.9903 · 0.9903 (rough estimate)
屈折率: 1.532 · 1.5320 (estimate)
酸解離定数(Pka): 8.4 · 8.40±0.28(Predicted)
LogP: 0.78 · 0.78
EPAの化学物質情報: 2 · Ethanamine, 2-chloro-N,N-dimethyl- (107-99-3)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.