3-클로로-4-(4-메틸피페라진-1-일)아닐린

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

HCID 820343CAS 16154-72-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCN(c2ccc(N)cc2Cl)CC1
InChIKey: LOCKPKWGFIBYLB-UHFFFAOYSA-N
분자식: C11H16ClN3
평균 분자량: 225.72 g/mol
단동위원소 질량: 225.10327519

이름 및 식별자

우선 이름: 3-Chloro-4-(4-methylpiperazin-1-yl)aniline
IUPAC: 3-chloro-4-(4-methylpiperazin-1-yl)aniline
현지명: 3-클로로-4-(4-메틸피페라진-1-일)아닐린
영어명: 3-Chloro-4-(4-methylpiperazin-1-yl)aniline
분자식: C11H16ClN3
분자량: 225.72

이름 및 동의어

16154-72-63-chloro-4-(4-methylpiperazin-1-yl)anilineDTXSID80356193RefChem:499896DTXCID90307252676-360-33-Chloro-4-(4-methylpiperazin-1-yl)benzenaminebenzenamine, 3-chloro-4-(4-methyl-1-piperazinyl)-MFCD019515053-Chloro-4-(4-methyl-piperazin-1-yl)-phenylamineOprea1_301251Oprea1_432991

이름 더 보기

3-클로로-4-(4-메틸피페라진-1-일)아닐린Albb-005529AKOS B033196AKOS BB-7856ASISCHEM Z03257TIMTEC-BB SBB0115553-chloro-4-(4-methyl-1-piperazinyl)aniline1-(4-AMINO-2-CHLOROPHENYL)-4-METHYLPIPERAZINEBENZENAMINE, 3-CHLORO-4-(4-METHYL-PIPERAZINYL)

3-chloro-4-(4-methylpiperazinyl)phenylamineSCHEMBL156279CHEMBL1620136SCHEMBL29507813LOCKPKWGFIBYLB-UHFFFAOYSA-NSBB011555STK141092AKOS000111810

데이터베이스 식별자

CAS: 16154-72-6
PubChem CID: 820343
DTXSID: DTXSID80356193
ChEMBL: CHEMBL1620136
EC Number: 676-360-3

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 32.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 204

물리화학적 성질

녹는점: 141 °C · 141 °C
끓는 점: 382.1 · 382.1±42.0 °C(Predicted)
밀도: 1 · 1+-.0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 7.54 · 7.54±0.42(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.