CAS 855778-84-6 3-piperidin-4-yl-1H-quinolin-2-one;hydrochloride (HCID 67317662)

기본 정보

CAS: 855778-84-6
표준 SMILES: Cl.O=c1[nH]c2ccccc2cc1C1CCNCC1
InChIKey: BAPAUBKDZOEWJL-UHFFFAOYSA-N
분자식: C14H17ClN2O
평균 분자량: 264.75 g/mol

이름 및 식별자

우선 이름: 3-piperidin-4-yl-1H-quinolin-2-one;hydrochloride
IUPAC: 3-piperidin-4-yl-1H-quinolin-2-one;hydrochloride
영어명: 3-(piperidin-4-yl)quinolin-2(1h)-one hydrochloride
분자식: C14H17ClN2O
분자량: 264.75

이름 및 동의어

855778-84-63-piperidin-4-yl-1H-quinolin-2-one;hydrochlorideRefChem:505009959-367-93-(piperidin-4-yl)quinolin-2(1H)-one hydrochlorideMFCD231599843-(4-PIPERIDINYL)-2(1H)-QUINOLINONE HYDROCHLORIDE3-(4-piperidyl)-1H-quinolin-2-one hydrochloride3-(4-piperidyl)-1H-quinolin-2-one;hydrochloride3-(4-Piperidyl)quinolin-2(1H)-one Hydrochloride2(1H)-Quinolinone, 3-(4-piperidinyl)-, hydrochloride (1:1)Tretinoin Impurity 14

이름 더 보기

Zavegepant Impurity 2 HClZavegepant?Hydrochloride Quinoline impurity

Vazegepant Impurity N727CYT4GSG57SCHEMBL2209444SCHEMBL31318331BAPAUBKDZOEWJL-UHFFFAOYSA-NSY3370963-Piperidin-4-yl-quinolin-2(1H)-one HClDB-088109

데이터베이스 식별자

CAS: 855778-84-6
PubChem CID: 67317662
UNII: 7CYT4GSG57
EC Number: 959-367-9

물성

구조 계산 물성

극성 표면적: 41.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 331

물리화학적 성질

InChI: InChI=1S/C14H16N2O.ClH/c17-14-12(10-5-7-15-8-6-10)9-11-3-1-2-4-13(11)16-14;/h1-4,9-10,15H,5-8H2,(H,16,17);1H
InChIKey: BAPAUBKDZOEWJL-UHFFFAOYSA-N
SMILES: O=C1NC2=CC=CC=C2C=C1C1CCNCC1.Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.