(S)-(-)-N,N-디메틸-3-하이드록시-3-(2-티에닐)프로판아민

(1S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol

HCID 9964277

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 132335-44-5
표준 SMILES: CN(C)CC[C@H](O)c1cccs1
InChIKey: XWCNSHMHUZCRLN-QMMMGPOBSA-N
분자식: C9H15NOS
평균 분자량: 185.29 g/mol
단동위원소 질량: 185.0874351

이름 및 식별자

우선 이름: (1S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol
IUPAC: (1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol
현지명: (S)-(-)-N,N-디메틸-3-하이드록시-3-(2-티에닐)프로판아민
영어명: (S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine
분자식: C9H15NOS
분자량: 185.29

이름 및 동의어

132335-44-5(1S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-olDTXSID10433380EC 603-565-7RefChem:393889DTXCID70384208(S)-N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE603-565-7(S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamineS-(-)-N,N-Dimethyl-3-Hydroxy-3-(2-Thienyl)PropanamineMFCD07782107(S)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)propanamine

이름 더 보기

(S)-(-)-N,N-디메틸-3-하이드록시-3-(2-티에닐)프로판아민(S)-3-(Dimethylamino)-1-(2-thienyl)propan-1-olDuloxetine-18Duloxetine Impurity49Duloxetine intermediate AAInterMediate of DuloxetineDuloxetine Hydroxy IMpurityDuloxetine S-Hydroxy ImpurityS-(-)-N,N-Dimethyl-3-hydroxy-3

(S)-3-(Dimethylamino)-1-(2-thienyl)-1-propanol(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol(S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol(1S)-3-(DIMETHYLAMINO)-1-(2-THIENYL)PROPAN-1-OL(S)-1-BETA-HYDROXY-1-(2-THIENYL)-3-DIMETHYLAMINOPROPANE2-THIOPHENEMETHANOL, ALPHA-[2-(DIMETHYLAMINO)ETHYL]-, (ALPHAS)-Duloxetine Impurity 11(S)-1-b-Hydroxy-1-(2-thienyl)-3-dimethylaminopropane

데이터베이스 식별자

CAS: 132335-44-5
PubChem CID: 9964277
DTXSID: DTXSID10433380
ChEMBL: CHEMBL4551881
EC Number: 603-565-7
Nikkaji: J1.364.911A

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 51.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 130

물리화학적 성질

녹는점: 78 · 78-80°C
끓는 점: 290 °C · 290°C
밀도: 1.111 · 1.111
인화점: 129 °C · 129°C
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 13.74 · 13.74±0.20(Predicted)
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1/C9H15NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/s3
InChIKey: XWCNSHMHUZCRLN-SBYBRXNCNA-N
SMILES: C(N(C)C)C[C@H](O)C1SC=CC=1 |&1:5,r|

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 19-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/6894

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

HS 번호: 29349990
risk_code: 36/37/38
safety_code: 26-36/37/39

화학 및 산업

응용 분야

용도A Duloxetine intermediate.

상·하류 제품 정보

상류 원료

3-(디메틸아미노)-1-(2-티에닐)-1-프로판올 디메틸아민 3-(DIMETHYLAMINO)-1-(2-THIENYL)-1-프로파논 (2S)-하이드록시(페닐)아세트산(1S)-3-(다이메틸아미노)-1-(2-티에닐)프로판-1-OL(1:1)(소금)2-티에닐-2-디메틸아미노에틸케톤HCL 3-Chloro-1-(2-thienyl)-1-propanol 수소 칼륨 Recombinant Human Telomerase 이소프로필알코올

하류 제품

(R)-N,N-dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine (S)-(+)-N,N-디메틸-3-(1-나프탈레닐옥시)-3-(2-티에닐)프로판아민 (S)-N,N-Dimethyl-[3-(2-thienyl)-3-(1-naphthyloxy)propyl]amine--phosphoric acid (1:1)

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

화합물 노트

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