3-(Dimethylamino)propyl chloride hydrochloride

HCID 94308CAS 5407-04-5

基本情報

標準SMILES: CN(C)CCCCl.Cl
InChIKey: LJQNMDZRCXJETK-UHFFFAOYSA-N
分子式: C5H12ClN.ClH
平均分子量: 158.07 g/mol
単同位体質量: 157.04250478

名称と識別子

優先名称: 3-(Dimethylamino)propyl chloride hydrochloride
IUPAC: 3-chloro-N,N-dimethylpropan-1-amine;hydrochloride

名称と別名

5407-04-53-(Dimethylamino)propyl chloride hydrochlorideDimethylaminopropyl chloride hydrochlorideDTXSID50222274031FU3Q6GNSC-5368DTXCID0022271-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride (1:1)RefChem:588503226-467-23-Dimethylaminopropylchloride hydrochloride3-chloro-N,N-dimethylpropan-1-amine hydrochloride

名称をさらに表示

3-Dimethylaminopropyl chloride hydrochloride1281-00-13-Chloro-N,N-dimethylpropylamine hydrochlorideN,N-Dimethyl-3-chloropropylamine hydrochloride(3-chloropropyl)dimethylamine hydrochlorideMFCD000125211-Chloro-3-(dimethylamino)propane hydrochlorideDimethylaminopropyl chloride, hydrochloride

データベース識別子

CAS: 5407-04-5
PubChem CID: 94308
DTXSID: DTXSID5022227
ChEMBL: CHEMBL1362069
UNII: 4031FU3Q6G
EC Number: 226-467-2

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: 3
重原子数: 8
形式電荷: 0
複雑度: 37.1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 89 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.