4-chloro-N-(2-(diethylamino)ethyl)aniline

HCID 224501CAS 5427-35-0

基本情報

標準SMILES: CCN(CC)CCNc1ccc(Cl)cc1
InChIKey: NCAAIVMJHDTUNT-UHFFFAOYSA-N
分子式: C12H19ClN2
平均分子量: 226.74 g/mol
単同位体質量: 226.12367629

名称と識別子

優先名称: 4-chloro-N-(2-(diethylamino)ethyl)aniline
IUPAC: N-(4-chlorophenyl)-N',N'-diethylethane-1,2-diamine

名称と別名

4-CHLORO-N-[2-(DIETHYLAMINO)ETHYL]ANILINE4-chloro-N-(2-(diethylamino)ethyl)anilineRefChem:521820973-737-75427-35-0N-(4-chlorophenyl)-N',N'-diethylethane-1,2-diamineNSC13014SCHEMBL1724150DTXSID00969289NCAAIVMJHDTUNT-UHFFFAOYSA-NFAA42735NSC-13014

名称をさらに表示

AKOS0002541834-chloro-N-(2-(diethylamino)ethyl)benzenamineEN300-254380N~2~-(4-Chlorophenyl)-N~1~,N~1~-diethylethane-1,2-diamine

データベース識別子

CAS: 5427-35-0
PubChem CID: 224501
DTXSID: DTXSID00969289
EC Number: 973-737-7

物性

構造計算による物性

XLogP: 3.3
極性表面積: 15.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 6
重原子数: 15
形式電荷: 0
複雑度: 152

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.