4-Methoxybenzene-1,2-diamine dihydrochloride

HCID 3085161CAS 59548-39-9

基本情報

標準SMILES: COc1ccc(N)c(N)c1.Cl.Cl
InChIKey: SXCHMHOBHJOXGC-UHFFFAOYSA-N
分子式: C7H12Cl2N2O
平均分子量: 211.09 g/mol
単同位体質量: 210.03266836

名称と識別子

優先名称: 4-Methoxybenzene-1,2-diamine dihydrochloride
IUPAC: 4-methoxybenzene-1,2-diamine;dihydrochloride

名称と別名

59548-39-94-Methoxybenzene-1,2-diamine dihydrochlorideEINECS 261-801-01,2-Benzenediamine, 4-methoxy-, dihydrochlorideDTXSID80208229NSC 62971RefChem:99622DTXCID50130720261-801-04-Methoxy-o-phenylenediamine dihydrochloride3,4-Diaminoanisole dihydrochlorideMFCD00052003

名称をさらに表示

4-methoxybenzene-1,2-diamine;dihydrochlorideAKOS0159196464-Methoxy-1,2-benzenediamine dihydrochloride4-Methoxy-1,2-diaminobenzene dihydrochloride4-methoxy-1,2-phenylenediamine dihydrochloride4-methoxy-l,2-phenylene diamine dihydrochloride[2-amino-4-(methyloxy)phenyl]amine dihydrochloride4-methoxy-o-phenylenediamine bis-hydrochloride salt

データベース識別子

CAS: 59548-39-9
PubChem CID: 3085161
DTXSID: DTXSID80208229
UNII: 37S4GDY7FJ
EC Number: 261-801-0

物性

構造計算による物性

極性表面積: 61.3 Å²
水素結合供与体数: 4
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 108

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (13.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.