1-(4-플루오로벤조일)피페리딘-3-카르복실산

1-(4-Fluorobenzoyl)piperidine-3-carboxylic acid

HCID 4713643

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 436093-16-2
표준 SMILES: O=C(O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIKey: RVLHLMFNCSEIHG-UHFFFAOYSA-N
분자식: C13H14FNO3
평균 분자량: 251.25 g/mol
단동위원소 질량: 251.09577147

이름 및 식별자

우선 이름: 1-(4-Fluorobenzoyl)piperidine-3-carboxylic acid
IUPAC: 1-(4-fluorobenzoyl)piperidine-3-carboxylic acid
현지명: 1-(4-플루오로벤조일)피페리딘-3-카르복실산
영어명: 1-(4-Fluorobenzoyl)piperidine-3-carboxylic acid
분자식: C13H14FNO3
분자량: 251.25

이름 및 동의어

1-(4-fluorobenzoyl)piperidine-3-carboxylic Acid436093-16-2RefChem:425476981-299-3MFCD032786943-Piperidinecarboxylic acid, 1-(4-fluorobenzoyl)-1-[(4-fluorophenyl)carbonyl]piperidine-3-carboxylic acidOprea1_130932Oprea1_4094421-(4-Fluoro-benzoyl)-piperidine-3-carboxylic acidSCHEMBL191835RVLHLMFNCSEIHG-UHFFFAOYSA-N

이름 더 보기

1-(4-플루오로벤조일)피페리딘-3-카르복실산1-(4-fluorobenzoyl)nipecotic acid1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid

HMS1776G11ALBB-016198BJB88287BBL022674STL261784AKOS000264234AKOS017259326VS-07249

데이터베이스 식별자

CAS: 436093-16-2
PubChem CID: 4713643
EC Number: 981-299-3

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 57.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 326

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.