3-플루오로-4-(4-메틸피페라진-1-일)아닐린

3-Fluoro-4-(4-methylpiperazin-1-yl)aniline

HCID 2783055

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 221198-99-8
표준 SMILES: CN1CCN(c2ccc(N)cc2F)CC1
InChIKey: GOPUCAPKOUZKPS-UHFFFAOYSA-N
분자식: C11H16FN3
평균 분자량: 209.26 g/mol
단동위원소 질량: 209.13282573

이름 및 식별자

우선 이름: 3-Fluoro-4-(4-methylpiperazin-1-yl)aniline
IUPAC: 3-fluoro-4-(4-methylpiperazin-1-yl)aniline
현지명: 3-플루오로-4-(4-메틸피페라진-1-일)아닐린
영어명: 3-Fluoro-4-(4-methylpiperazin-1-yl)aniline
분자식: C11H16FN3
분자량: 209.26

이름 및 동의어

221198-99-83-fluoro-4-(4-methylpiperazin-1-yl)anilineDTXSID40382418RefChem:501712DTXCID20333443887-854-53-fluoro-4-(4-methyl-1-piperazinyl)aniline3-Fluoro-4-(4-methyl-1-piperazinyl)benzenamine3-Fluoro-4-(4-methylpiperazino)anilineMFCD05663793SCHEMBL159044EN300-231127

이름 더 보기

3-플루오로-4-(4-메틸피페라진-1-일)아닐린3-fluoro-4-(4-methyl-1-pi...1-(4-Amino-2-fluorophenyl)-4-methylpiperazine3-Fluoro-4-(4-methylpiperazin-1-yl)phenylamine[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amine dihydrochloride

CCG-358893[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amine3-fluoro-4-(4-methylpiperazinyl)phenylamineBENZENAMINE, 3-FLUORO-4-(4-METHYL-1-PIPERAZINYL)-GOPUCAPKOUZKPCHEMBL5435017SCHEMBL28793988SCHEMBL29520597

데이터베이스 식별자

CAS: 221198-99-8
PubChem CID: 2783055
DTXSID: DTXSID40382418
ChEMBL: CHEMBL5435017
EC Number: 887-854-5

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 32.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 204

물리화학적 성질

녹는점: 87 · 87-89
끓는 점: 349.5 · 349.5±42.0 °C(Predicted)
밀도: 1.167 · 1.167±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 7.56 · 7.56±0.42(Predicted)

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)

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