CAS 847063-13-2 1-((4-Chlorophenethyl)amino)propan-2-ol (HCID 11564750)

기본 정보

CAS: 847063-13-2
표준 SMILES: CC(O)CNCCc1ccc(Cl)cc1
InChIKey: URWKQIHYBHDHPD-UHFFFAOYSA-N
분자식: C11H16ClNO
평균 분자량: 213.7 g/mol
단동위원소 질량: 213.09204181

이름 및 식별자

우선 이름: 1-((4-Chlorophenethyl)amino)propan-2-ol
IUPAC: 1-[2-(4-chlorophenyl)ethylamino]propan-2-ol
현지명: 1-[[2-(4-클로로페닐)에틸]아미노]-2-히드록시프로판
영어명: 1-[[2-(4-Chlorophenyl)ethyl]amino]-2-hydroxypropane
분자식: C11H16ClNO
분자량: 213.7

이름 및 동의어

1-((4-Chlorophenethyl)amino)propan-2-olRefChem:418622810-476-9847063-13-21-[2-(4-chlorophenyl)ethylamino]propan-2-olMFCD106987931-[2-(4-chloro-phenyl)-ethylamino]-propan-2-ol1-(4-chlorophenethylamino)propan-2-ol1-[[2-(4-chlorophenyl)ethyl]amino]-2-Propanol1-{[2-(4-chlorophenyl)ethyl]amino}propan-2-olSCHEMBL937041DTXSID90468670

이름 더 보기

1-[[2-(4-클로로페닐)에틸]아미노]-2-히드록시프로판Lorcaserin Intermediate 12-Propanol, 1-[[2-(4-chlorophenyl)ethyl]aMino]-1-[[2-(4-Chlorophenyl)ethyl]amino]-2-hydroxypropane

URWKQIHYBHDHPD-UHFFFAOYSA-NCS-M1983AKOS0106386921-(4-chlorophenethyl-amino)propan-2-ol1-(4-chlorophenethylamino)-propan-2-olBS-44290DB-076099D77442

데이터베이스 식별자

CAS: 847063-13-2
PubChem CID: 11564750
DTXSID: DTXSID90468670
EC Number: 810-476-9

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 146

물리화학적 성질

끓는 점: 342.3 · 342.3±22.0 °C(Predicted)
밀도: 1.122 · 1.122±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.85 · 14.85±0.20(Predicted)

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.