기본 정보
- CAS
71556-74-6- 표준 SMILES
CCC1(c2cccc(O)c2)CCCCN(C)C1=O- InChIKey
YFSJZMANJNLCOQ-UHFFFAOYSA-N- 분자식
- C15H21NO2
- 평균 분자량
- 247.33 g/mol
- 단동위원소 질량
- 247.15722891
이름 및 식별자
- 우선 이름
- 3-Ethylhexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one
- IUPAC
- 3-ethyl-3-(3-hydroxyphenyl)-1-methylazepan-2-one
- 영어명
- 3-ETHYL-3-(3-HYDROXYPHENYL)-1-METHYLAZEPAN-2-ONE
- 분자식
- C15H21NO2
- 분자량
- 247.33
이름 및 동의어
71556-74-63-Ethylhexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-oneEINECS 275-622-0RefChem:93855275-622-03-ethyl-3-(3-hydroxyphenyl)-1-methylazepan-2-oneMFCD002768403-Ethyl-hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-oneMeptazinol impurity A3-Ethyl-3-(hydroxyphenyl)-1-methylazepan-2-oneSCHEMBL7190137DTXSID00992113
이름 더 보기
3-ethyl-3-(2-hydroxyphenyl)-1-methyl-2-azepanone3-Ethyl-3-(3-hydroxyphenyl)-1-methylazepan-2-one, tech3-ETHYL-3-(3-HYDROXYPHENYL)-1-METHYLAZEPAN-2-O 71556-74-62H-Azepin-2-one, 3-ethylhexahydro-3-(3-hydroxyphenyl)-1-methyl-
AKOS015994607HS-0019AC-24410DB-026078CS-0326555NS000616773-ethyl-3-(3-hydroxyphenyl)-1-methyl-azepan-2-one3-ethyl-3-(3-hydroxy-phenyl)-1-methyl-azepan-2-one
데이터베이스 식별자
- CAS
71556-74-6- PubChem CID
- 2794573
- DTXSID
DTXSID00992113- EC Number
- 275-622-0
- Nikkaji
- J289.215D
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 305
물리화학적 성질
- 녹는점
- 172 °C · 172 °C
- 밀도
- 1.073 · 1.073
- 저장 조건
- 2 · 2-8°C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Regulatory InformationStatus: Active Update: 01-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26762
Hazard Classes and CategoriesNot Classified
안전 데이터
- HS 번호
- 2914390090
- risk_code
- 20/21/22-36/37/38
- safety_code
- 22-26-36/37/39
화학 및 산업
응용 분야
용도3-Ethyl-3-(3-hydroxyphenyl)-1-methylazepan-2-one (cas# 71556-74-6) is an impurity of meptazinol, which is a mixed opioid agonist-antagonist. Analgesic (narcotic).
상·하류 제품 정보
상류 원료
공급사22 곳
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Xiamen Eagle Chemical Limited Corporation+86-18900207489 · [email protected]
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