CAS 116539-56-1 3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol (HCID 10214420)

이름 및 식별자

우선 이름: 3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol
IUPAC: 3-(methylamino)-1-thiophen-2-ylpropan-1-ol
영어명: 3-Methylamino-1-(2-thienyl)-1-propanol
분자식: C8H13NOS
분자량: 171.26

이름 및 동의어

3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol3-Methylamino-1-(2-thienyl)-1-propanolDuloxetine impurity BUNII-MN1J3TV06QMN1J3TV06QN-Methyl-(3-hydroxy-3-(2-thienyl)propyl)amine2-Thiophenemethanol, alpha-[2-(methylamino)ethyl]-2-Thiophenemethanol, alpha-(2-(methylamino)ethyl)-DULOXETINE IMPURITY B [USP IMPURITY]2-THIOPHENEMETHANOL, .ALPHA.-(2-(METHYLAMINO)ETHYL)-DULOXETINE IMPURITY B (USP IMPURITY)RefChem:198211

이름 더 보기

Ammuxetine Impurity 5Ammuxetine Impurity 253-Methylamino-1-(2-thienyl)-1-propanoDuloxetine Methylaminopropanol Racemate(1S)-3-(Methylamino)-1-(2-thienyl)propan-1-ol1-β-Hydroxy-1-(2-thienyl)-3-methylaminopropane2-Thiophenemethanol, α-[2-(methylamino)ethyl]-2-ThiopheneMethanol, a-[2-(MethylaMino)ethyl]-

(+-)-1-(2-THIOPHENYL)-3-METHYLAMINO-1-PROPANOL(+-)-3-(N-METHYLAMINO)-1-(2-THIENYL)-1-PROPANOL3-(N-METHYLAMINO)-1-(2-THIENYL)-1-PROPANOL, (+-)-839-144-1116539-56-13-(methylamino)-1-thiophen-2-ylpropan-1-ol3-(METHYLAMINO)-1-(2-THIENYL)PROPAN-1-OL(+/-)-3-(N-Methylamino)-1-(2-thienyl)-1-propanol

데이터베이스 식별자

CAS: 116539-56-1
PubChem CID: 10214420
UNII: MN1J3TV06Q
EC Number: 839-144-1
Nikkaji: J3.465.344E

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 60.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 110

물리화학적 성질

녹는점: 56 · 56-61°C
끓는 점: 294.288 · 294.288±35.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.128 · 1.128±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 13.769 · 13.769±0.20(predicted)
색상: 오렌지 레드

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.