5-클로로-2-(3,4-디메톡시페닐)-2-이소프로필발레로니트릴

5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile

HCID 619953CAS 27487-83-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(C(C#N)(CCCCl)C(C)C)cc1OC
InChIKey: VDQLTWSIHIWIFQ-UHFFFAOYSA-N
분자식: C16H22ClNO2
평균 분자량: 295.8 g/mol
단동위원소 질량: 295.13390662

이름 및 식별자

우선 이름: 5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile
IUPAC: 5-chloro-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile
현지명: 5-클로로-2-(3,4-디메톡시페닐)-2-이소프로필발레로니트릴
영어명: 5-chloro-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile
분자식: C16H22ClNO2
분자량: 295.8

이름 및 동의어

27487-83-85-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile5-chloro-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrileEINECS 248-490-75-Chloro-2-(3,4-dimethoxyphenyl)-2-(propan-2-yl)pentanenitrileSCHEMBL6390941DTXSID60950178B56T8ES597STL561458AKOS024456016alpha-(3-Chloropropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile

이름 더 보기

5-클로로-2-(3,4-디메톡시페닐)-2-이소프로필발레로니트릴1-Chloro-5-methyl-4-cyano-4-(3,4-dimethoxyphenyl)hexaneα-(3-Chloropropyl)-(3,4-dimethoxyphenyl)isovaleronitrile5-Chloro-2-(3,4-dimethoxyphenyl)-2-isoproplvaleronitrile5-CHLORO-2-(3,4-DIMETHOXYPHENYL)-2-ISOPROYLVALERONITRILE2-(3,4-dimethoxyphenyl)-2-isopropyl-2-(3-chloropropyl)acetonitrilea-(3-Chloropropyl)-3,4-dimethoxy-a-(1-methylethyl)benzeneacetonitrileα-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrileBenzeneacetonitrile, α-(3-chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)-

CS-0333385NS000504005-Chloro-2-(3.4-dimethoxyphenyl)-2-isopropylpentanenitrile5-chloro-2- (3',4'-dimethoxyphenyl)-2-isopropylpentanenitrile5-chloro-2-(3',4'-dimethoxyphenyl)-2-isopropylpentanenitrile5-chloro-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile #Valeronitrile, 5-chloro-2-(3,4-dimethoxyphenyl)-2-isopropyl-

데이터베이스 식별자

CAS: 27487-83-8
PubChem CID: 619953
DTXSID: DTXSID60950178
UNII: B56T8ES597
EC Number: 248-490-7
Nikkaji: J250.520G

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 42.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 20
형식 전하: 0
복잡도: 339

물리화학적 성질

끓는 점: 160 · 160-165 °C(Press: 0.05 Torr)
밀도: 1.074 · 1.074±0.06 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 에 용해됨아세톤, 클로로포름, 디클로로메탄, 에틸아세테이트
물리적 상태: 기름
색상: 무색

화학적 성질

Colourless Oil

화학 및 산업

응용 분야

용도Intermediate for synthesis of verapamil and analogs.

상·하류 제품 정보

상류 원료

공급사13 곳

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