N-메틸호모베라트릴아민

N-Methylhomoveratrylamine

HCID 77039CAS 3490-06-0

기본 정보

표준 SMILES: CNCCc1ccc(OC)c(OC)c1
InChIKey: HNJWKRMESUMDQE-UHFFFAOYSA-N
분자식: C11H17NO2
평균 분자량: 195.26 g/mol
단동위원소 질량: 195.12592878

개요

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

이름 및 식별자

우선 이름: N-Methylhomoveratrylamine
IUPAC: 2-(3,4-dimethoxyphenyl)-N-methylethanamine
현지명: N-메틸호모베라트릴아민
영어명: N-Methylhomoveratrylamine
분자식: C11H17NO2
분자량: 195.26

이름 및 동의어

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

이름 더 보기

N-메틸호모베라트릴아민2-(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 30.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 152

실험 및 물리화학적 성질

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

물리화학적 성질

끓는 점: 160 · 160-161 °C13 mm Hg(lit.)
밀도: 1.059 g/mL · 1.059 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.533(lit.)
인화점: 230 °F · >230 °F
용해도: 클로로포름(용해성), 메탄올(용해성)
산도 계수 (pKa): 10.16 · 10.16±0.10(Predicted)
물리적 상태: 기름
색상: 무색~담황색
LogP: 1.304 · 1.304

화학적 성질

Light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.