2-Chloroethyldiisopropylammonium chloride

HCID 77942CAS 4261-68-1

基本情報

標準SMILES: CC(C)N(CCCl)C(C)C.Cl
InChIKey: IUSXYVRFJVAVOB-UHFFFAOYSA-N
分子式: C8H19Cl2N
平均分子量: 200.15 g/mol
単同位体質量: 199.08945497

名称と識別子

優先名称: 2-Chloroethyldiisopropylammonium chloride
IUPAC: N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine;hydrochloride

名称と別名

2-Chloroethyldiisopropylammonium chloride2-(diisopropylamino)-ethylchloride hydrochlorideRefChem:4704534261-68-12-Diisopropylaminoethyl Chloride Hydrochloride2-(Diisopropylamino)ethyl chloride hydrochlorideDTXSID60487012-Chloroethyldiisopropylamine hydrochloride2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride6RMR38FCEQN-(2-Chloroethyl)diisopropylamine hydrochlorideN-(2-chloroethyl)-N-(propan-2-yl)propan-2-amine hydrochloride

名称をさらに表示

NSC-49189N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine;hydrochloride2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride (1:1)(2-chloroethyl)bis(propan-2-yl)amine hydrochlorideNCGC00166002-01EINECS 224-238-1UNII-6RMR38FCEQNSC 49189

データベース識別子

CAS: 4261-68-1
PubChem CID: 77942
DTXSID: DTXSID6048701
ChEMBL: CHEMBL3188338
UNII: 6RMR38FCEQ
EC Number: 224-238-1

物性

構造計算による物性

極性表面積: 3.2 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: 4
重原子数: 11
形式電荷: 0
複雑度: 73.3

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P361+P364, 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.