2,4-Dimethoxybenzylamine hydrochloride

HCID 3084343CAS 20781-21-9

基本情報

標準SMILES: COc1ccc(CN)c(OC)c1.Cl
InChIKey: KJOWSAVFSCSBMZ-UHFFFAOYSA-N
分子式: C9H14ClNO2
平均分子量: 203.66 g/mol
単同位体質量: 203.07130637

名称と識別子

優先名称: 2,4-Dimethoxybenzylamine hydrochloride
IUPAC: (2,4-dimethoxyphenyl)methanamine;hydrochloride

名称と別名

20781-21-92,4-Dimethoxybenzylamine hydrochlorideEINECS 244-036-7Benzenemethanamine, 2,4-dimethoxy-, hydrochlorideDTXSID40174870RefChem:443700DTXCID1097361244-036-7(2,4-dimethoxyphenyl)methanamine hydrochlorideMFCD000128542,4-Dimethoxy-benzylamine hydrochloride(2,4-dimethoxyphenyl)methanamine;hydrochloride

名称をさらに表示

Benzenemethanamine, 2,4-dimethoxy-, hydrochloride (1:1)(2,4-dimethoxyphenyl)methylamine, chloride1-(2,4-DIMETHOXYPHENYL)METHANAMINE HYDROCHLORIDE2,4-Dimethoxybenzylamine, HCl2,4-DIMETHOXY-BENZYLAMINE HCL(2,4-dimethoxyphenyl)methanamine,hydrochlorideSCHEMBL1197172SBB000428

データベース識別子

CAS: 20781-21-9
PubChem CID: 3084343
DTXSID: DTXSID40174870
EC Number: 244-036-7

物性

構造計算による物性

極性表面積: 44.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 130

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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.