CAS 23808-43-7 1-[2-(4-Fluorophenyl)ethyl]piperidin-4-one (HCID 7023594)

기본 정보

CAS: 23808-43-7
표준 SMILES: O=C1CCN(CCc2ccc(F)cc2)CC1
InChIKey: RLCBASWXFBEVKY-UHFFFAOYSA-N
분자식: C13H16FNO
평균 분자량: 221.27 g/mol
단동위원소 질량: 221.12159235

이름 및 식별자

우선 이름: 1-[2-(4-Fluorophenyl)ethyl]piperidin-4-one
IUPAC: 1-[2-(4-fluorophenyl)ethyl]piperidin-4-one
현지명: 1-(4-플루오로페네틸)-4-피페리돈
영어명: 1-(4-Fluorophenethyl)-4-piperidone
분자식: C13H16FNO
분자량: 221.27

이름 및 동의어

1-[2-(4-fluorophenyl)ethyl]piperidin-4-oneDTXSID904275201-(2-(4-fluorophenyl)ethyl)piperidin-4-oneRefChem:428899DTXCID20378354841-375-823808-43-71-(4-Fluorophenethyl)piperidin-4-one1-[2-(4-Fluorophenyl)ethyl]-4-piperidoneMFCD030930681-(4-FLUOROPHENETHYL)-4-PIPERIDONESCHEMBL3715278

이름 더 보기

1-(4-플루오로페네틸)-4-피페리돈4-(4-Fluorophenethyl)-4-piperidone1-[2-(4-fluorophenyl)ethyl]-4-piperidinone1-2-(4-Fluorophenyl)ethylü-4-piperidone, 98%1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDONE 98%

CHEMBL4579171RLCBASWXFBEVKY-UHFFFAOYSA-NAKOS000191548DB-005657ST50408404EN300-418664-Piperidinone, 1-[2-(4-fluorophenyl)ethyl]-A1-23654

데이터베이스 식별자

CAS: 23808-43-7
PubChem CID: 7023594
DTXSID: DTXSID90427520
ChEMBL: CHEMBL4579171
EC Number: 841-375-8

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 226

물리화학적 성질

녹는점: 62 · 62-64°C

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)

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