2-(3,4-ジメトキシフェニル)-N-メチルエチルアミン

N-Methylhomoveratrylamine

HCID 77039CAS 3490-06-0

基本情報

標準SMILES: CNCCc1ccc(OC)c(OC)c1
InChIKey: HNJWKRMESUMDQE-UHFFFAOYSA-N
分子式: C11H17NO2
平均分子量: 195.26 g/mol
単同位体質量: 195.12592878

概要

N-methylhomoveratrylamine has been reported in Echinocereus cinerascens, Ariocarpus scaphirostris, and other organisms with data available.

名称と識別子

優先名称: N-Methylhomoveratrylamine
IUPAC: 2-(3,4-dimethoxyphenyl)-N-methylethanamine
現地名: 2-(3,4-ジメトキシフェニル)-N-メチルエチルアミン
英語名: N-Methylhomoveratrylamine
分子式: C11H17NO2
分子量: 195.26

名称と別名

N-Methylhomoveratrylamine3490-06-02-(3,4-dimethoxyphenyl)-N-methylethanamineUNII-5H5ZH95EHGBenzeneethanamine, 3,4-dimethoxy-N-methyl-5H5ZH95EHGEINECS 222-483-9NSC 187772NSC-187772DTXSID70188460EC 222-483-9N-Methyl-2-(3,4-dimethoxyphenyl)ethylamine

名称をさらに表示

2-(3,4-ジメトキシフェニル)-N-メチルエチルアミン2-(3,4-ジメトキシフェニル)-N-メチルエタンアミンN-メチル-3,4-ジメトキシフェネチルアミン3,4-ジメトキシ-N-メチルベンゼンエタンアミンN-メチル-3,4-ジメトキシベンゼンエタンアミン3,4-ジメトキシ-N-メチルフェネチルアミンN-メチルホモベラトリルアミン[2-(3,4-ジメトキシフェニル)エチル](メチル)アミン2-(3,4-dimethoxyphenyl)-N-methylethan-1-amineAURORA KA-7753AKOS BBS-00006509Verapamil Impurity BVerapamil EP Impurity B3,4-DIMETHOXY-N-METHYLPHENETHYLAMINEN-Methyl-3,4-dimethoxyphenethylamine3,4-DiMethoxy-β-phenethylMethylaMine

N-(3,4-DIMETHOXYPHENETHYL)-N-METHYLAMINEVERAPAMIL HYDROCHLORIDE IMPURITY B [EP IMPURITY]VERAPAMIL HYDROCHLORIDE IMPURITY B (EP IMPURITY)RefChem:163837DTXCID00110951222-483-9HNJWKRMESUMDQE-UHFFFAOYSA-N2-(3,4-Dimethoxyphenyl)-N-methylethylamine

データベース識別子

CAS: 3490-06-0
PubChem CID: 77039
DTXSID: DTXSID70188460
ChEMBL: CHEMBL1404381
UNII: 5H5ZH95EHG
EC Number: 222-483-9
Nikkaji: J216.153B

物性

構造計算による物性

XLogP: 1.3
極性表面積: 30.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 14
形式電荷: 0
複雑度: 152

実験および物理化学的性質

Solubility>29.3 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

沸点: 160 · 160-161 °C13 mm Hg(lit.)
比重(密度): 1.059 g/mL · 1.059 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.533(lit.)
闪点: 230 °F · >230 °F
溶解性: Chloroform (Soluble), Methanol (Soluble)
酸解離定数(Pka): 10.16 · 10.16±0.10(Predicted)
外見: Oil
色: Colourless to Pale Yellow
LogP: 1.304 · 1.304
CAS データベース: 3490 · 3490-06-0(CAS DataBase Reference)

化学的性質

化学的特性Light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (59.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 174 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.