N-메틸-N-(3-클로로프로필)-3,4-디메톡시페네틸아민

N-(3-Chloropropyl)-3,4-dimethoxy-N-methylphenethylamine

HCID 577693CAS 36770-74-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(CCN(C)CCCCl)cc1OC
InChIKey: HJBBKVHYQQUPQW-UHFFFAOYSA-N
분자식: C14H22ClNO2
평균 분자량: 271.78 g/mol
단동위원소 질량: 271.13390662

이름 및 식별자

우선 이름: N-(3-Chloropropyl)-3,4-dimethoxy-N-methylphenethylamine
IUPAC: 3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropan-1-amine
현지명: N-메틸-N-(3-클로로프로필)-3,4-디메톡시페네틸아민
영어명: N-Methyl-N-(3-chloropropyl)-3,4-dimethoxyphenethylamine
분자식: C14H22ClNO2
분자량: 271.78

이름 및 동의어

N-(3-Chloropropyl)-3,4-dimethoxy-N-methylphenethylamineRefChem:82649236770-74-83-chloro-n-(3,4-dimethoxyphenethyl)-n-methylpropan-1-amineN-Methyl-N-(3-chloropropyl)homoveratrylamineVerapamil EP Impurity DN-(3-Chloropropyl)-3,4-dimethoxy-N-methylbenzeneethanamine3-CHLOROPROPYL-[2-(3,4-DIMETHOXYPHENYL)ETHYL]METHYLAMINE3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropan-1-amineN-METHYL-N-(3-CHLOROPROPYL)-3,4-DIMETHOXYPHENETHYLAMINE1RK3H74O3YBenzeneethanamine, N-(3-chloropropyl)-3,4-dimethoxy-N-methyl-

이름 더 보기

N-메틸-N-(3-클로로프로필)-3,4-디메톡시페네틸아민Verapamil EP Impurityverapamil impurities877Verapamil EP Impurity D HCl3-Chloro-N-[2-(3,4-dimethoxyphenyl)Verapamil Hydrochloride EP Impurity DVerapamil Impurity 4（Verapamil EP Impurity D）

Verapamil Impurity DUNII-1RK3H74O3Y3-CHLORO-N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-N-METHYLPROPAN-1-AMINEEINECS 253-198-8SR-45813SCHEMBL3656443SCHEMBL27436615DTXSID001192363

데이터베이스 식별자

CAS: 36770-74-8
PubChem CID: 577693
DTXSID: DTXSID001192363
UNII: 1RK3H74O3Y
EC Number: 253-198-8
Nikkaji: J331.065E

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 21.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 8
무거운 원자 수: 18
형식 전하: 0
복잡도: 216

물리화학적 성질

끓는 점: 69 · 69-70 °C(Press: 0.005 Torr)
밀도: 1.066 · 1.066±0.06 g/cm3(Predicted)
저장 조건: Refrigerator, under inert atmosphere
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 8.8 · 8.80±0.50(Predicted)
물리적 상태: 흰색에서 황백색 반고체까지
주요 응용: 제약

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P270, P301+P317, P330, 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.

안전 데이터

wgk: WGK 3
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도N-(3-Chloropropyl)-3,4-dimethoxy-N-methylbenzeneethanamine (Verapamil EP Impurity D) is a reagent in the synthesis of Zatebradine, an anti-anginal agent.