기본 정보
- CAS
14788-65-9- 표준 SMILES
C#CC1(O)CC(C)N(C)C2CCCCC21- InChIKey
OMBITJGEGMMNIO-MROQNXINSA-N- 분자식
- C13H21NO
- 평균 분자량
- 207.31 g/mol
- 단동위원소 질량
- 207.16231429
이름 및 식별자
- 우선 이름
- 4-Ethynyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
- IUPAC
- 4-ethynyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
- 영어명
- 4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, (2alpha,4beta,4aalpha, 8abeta)-
- 분자식
- C13H21NO
- 분자량
- 207.31
이름 및 동의어
14788-65-916067-80-44-ethynyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, (2.alpha.,4.alpha.,4a.beta.,8a.alpha.)-4-Quinolinol, 4.alpha.-ethynyl-1,2,3,4,4a.alpha.,5,6,7,8,8a.beta.-decahydro-1,2.beta.-dimethyl-4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, (2alpha,4beta,4aalpha,8abeta)-OMBITJGEGMMNIO-UHFFFAOYSA-N4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, (2.alpha.,4.alpha.,4a.alpha.,8a.beta.)-4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, (2.alpha.,4.beta.,4a.alpha.,8a.beta.)-4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, (2alpha,4alpha,4aalpha ,8abeta)-4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, (2alpha,4alpha,4aalpha,8abeta)-4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, (2alpha,4alpha,4abeta,8aalpha)-
이름 더 보기
4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, (2R,4R,4aS,8aS)-rel-
4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, (2alpha,4beta,4aalpha, 8abeta)-16067-45-14-Quinolinol, 4.alpha.-ethynyl-1,2,3,4,4a.alpha.,5,6,7,8,8a.beta.-decahydro-1,2.alpha.-dimethyl-4-Quinolinol, 4.alpha.-ethynyl-1,2,3,4,4a.beta.,5,6,7,8,8a.alpha.-decahydro-1,2.beta.-dimethyl-1,2-dimethyl 4-ethynyl-4-oxydecahydroquinoline4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol #
데이터베이스 식별자
- CAS
14788-65-9、16067-45-1、16067-80-4- PubChem CID
- 139830
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 23.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 292
물리화학적 성질
- 녹는점
- 132 · 132-133 °C
- 끓는 점
- 305.5 · 305.5±42.0 °C(Predicted)
- 밀도
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.79 · 12.79±0.40(Predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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