기본 정보
- CAS
132335-46-7- 표준 SMILES
CN(C)CCC(Oc1cccc2ccccc12)c1cccs1- InChIKey
JFTURWWGPMTABQ-UHFFFAOYSA-N- 분자식
- C19H21NOS
- 평균 분자량
- 311.4 g/mol
- 단동위원소 질량
- 311.13438529
이름 및 식별자
- 우선 이름
- N,N-Dimethyl-3-((naphthalen-1-yl)oxy)-3-(thiophen-2-yl)propan-1-amine
- IUPAC
- N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
- 현지명
- (S)-(+)-N,N-디메틸-3-(1-나프탈레닐옥시)-3-(2-티에닐)프로판아민
- 영어명
- (S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine
- 분자식
- C19H21NOS
- 분자량
- 311.44
이름 및 동의어
DTXSID10468814N,N-Dimethyl-3-((naphthalen-1-yl)oxy)-3-(thiophen-2-yl)propan-1-amineN,N-Dimethyl-3-[(naphthalen-1-yl)oxy]-3-(thiophen-2-yl)propan-1-amineRefChem:1090541DTXCID00419633N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine3-[(1-Naphthyl-4-D)oxy]-N,N-dimethyl-3-(2-thienyl)-1-propanamine2241983-09-3N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amineMFCD316999672-Thiophenepropanamine, N,N-dimethyl-gamma-(1-naphthalenyloxy)-, (gammaR)-Duloxetine IMpurity 08
이름 더 보기
(S)-(+)-N,N-디메틸-3-(1-나프탈레닐옥시)-3-(2-티에닐)프로판아민(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amineDuloxetine-9N-Methyl DuloxetineDuloxetine N-MethylDuloxetine Impurity57Duloxetine Impurity 11N-methyl-(S)-duloxetine(S)-(+)-N,N-Dimethyl-3-(1-phthalenyloxy)-3-(2-thienyl)propamineS-(+)-N,N-DIMETHYL-3-(1-NAPHTHENYLOXY)-3-(2-THIENYL)PROPANAMINE
Duloxetine IMpurity 09878757-08-5SCHEMBL3592(R)-N,N-dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl) propan-1-amineSCHEMBL12342733rac-N-Methyl duloxetine, >98%JFTURWWGPMTABQ-UHFFFAOYSA-NAKOS015962082
데이터베이스 식별자
- CAS
132335-46-7- PubChem CID
- 11573192
- DTXSID
DTXSID10468814
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 40.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 335
물리화학적 성질
- 끓는 점
- 459.7 · 459.7±40.0 °C(Predicted)
- 밀도
- 1.146 · 1.146
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 9.19 · 9.19±0.28(Predicted)
화학적 성질
White powder
화학 및 산업
응용 분야
용도A duloxetine impurity.
상·하류 제품 정보
상류 원료
하류 제품
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