기본 정보
- CAS
123620-80-4- 표준 SMILES
C[C@H]([C@@H](O)c1ccccc1)N1CCCC1- InChIKey
FZVHJGJBJLFWEX-DGCLKSJQSA-N- 분자식
- C13H19NO
- 평균 분자량
- 205.3 g/mol
- 단동위원소 질량
- 205.14666423
이름 및 식별자
- 우선 이름
- 1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1S,2R)-
- IUPAC
- (1S,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
- 영어명
- (1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol
- 분자식
- C13H19NO
- 분자량
- 205.3
이름 및 동의어
123620-80-4(1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol(1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)-1-propanol79R77N139L1-PYRROLIDINEETHANOL, BETA-METHYL-ALPHA-PHENYL-, (ALPHAS,BETAR)-1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1S,2R)-(1S,2R)-(-)-2-(1-Pyrrolidyl)-1-phenylpropan-1-ol(-)-Threo-dihydro-alpha-pyrrolidinopropiophenone(-)-THREO-DIHYDRO-.ALPHA.-PYRROLIDINOPROPIOPHENONE1-Pyrrolidineethanol, beta-methyl-alpha-phenyl-, (S-(R*,S*))-1-PYRROLIDINEETHANOL, .BETA.-METHYL-.ALPHA.-PHENYL-, (S-(R*,S*))-1-PYRROLIDINEETHANOL, .BETA.-METHYL-.ALPHA.-PHENYL-, (.ALPHA.S,.BETA.R)-
이름 더 보기
Efavirenz Impurity 30Phenylpyrrolidinylpropanol(1S,2R)-1-Phenyl-2-(1-pyrrolid(1S,2R)-N,N-TETRAMETHYLENENOREPHEDRINE(IS,2R)-N-Pyrrolidinyl norephedrine HCL(1S,2R)-1-Phenyl-2-(pyrrolidin-1-yl)-1-propanol(1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol>1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αS,βR)-
RefChem:435566626-192-1678-427-2(1S,2R)-1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol(1S,2R)-1-Phenyl-2-pyrrolidin-1-yl-propan-1-olMFCD0209349256571-92-7(1S,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
데이터베이스 식별자
- CAS
123620-80-4- PubChem CID
- 9942483
- UNII
- 79R77N139L
- EC Number
- 678-427-2
- Nikkaji
- J1.119.834A
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 23.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 183
물리화학적 성질
- 녹는점
- 48 °C · 48 °C
- 끓는 점
- 155 ℃/3mm · 155℃/3mm
- 밀도
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- 굴절률
- -14.5 ° · -14.5 ° (C=2, CHCl3)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 13.89 · 13.89±0.20(Predicted)
- 색상
- 흰색에서 크림색으로
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- HS 번호
- 2933.99.8210
화학 및 산업
공급사46 곳
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