3-(4-메틸-피페라진-1-일메틸)-아닐린

3-[(4-Methylpiperazin-1-yl)methyl]aniline

HCID 6484186

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 198281-55-9
표준 SMILES: CN1CCN(Cc2cccc(N)c2)CC1
InChIKey: ZGPHZHCPWKOKDX-UHFFFAOYSA-N
분자식: C12H19N3
평균 분자량: 205.3 g/mol
단동위원소 질량: 205.15789761

이름 및 식별자

우선 이름: 3-[(4-Methylpiperazin-1-yl)methyl]aniline
IUPAC: 3-[(4-methylpiperazin-1-yl)methyl]aniline
현지명: 3-(4-메틸-피페라진-1-일메틸)-아닐린
영어명: 3-(4-Methyl-piperazin-1-ylmethyl)-aniline
분자식: C12H19N3
분자량: 205.3

이름 및 동의어

3-[(4-methylpiperazin-1-yl)methyl]aniline3-((4-methylpiperazin-1-yl)methyl)anilineDTXSID00424409RefChem:496498DTXCID80375243992-552-2198281-55-93-[(4-methyl-1-piperazinyl)methyl]aniline3-(4-METHYL-PIPERAZIN-1-YLMETHYL)-ANILINEMFCD06804545Benzenamine, 3-[(4-methyl-1-piperazinyl)methyl]-3-(4-Methyl-piperazin-1-ylmethyl)-phenylamine

이름 더 보기

3-(4-메틸-피페라진-1-일메틸)-아닐린TIMTEC-BB SBB007471

3-(4-Methyl-piperazin-1-ylmethyl)aniline3-(4-methylpiperazin-1-ylmethyl)aniline{3-[(4-Methylpiperazin-1-yl)methyl]phenyl}amineSCHEMBL62758SCHEMBL20146263-((4-METHYLPIPERAZIN-1-YL)METHYL) BENZENAMINESCHEMBL29715963ZGPHZHCPWKOKDX-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 198281-55-9
PubChem CID: 6484186
DTXSID: DTXSID00424409
EC Number: 992-552-2

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 32.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 187

물리화학적 성질

끓는 점: 334.8 · 334.8±27.0 °C(Predicted)
밀도: 1.085 · 1.085±0.06 g/cm3(Predicted)
산도 계수 (pKa): 7.61 · 7.61±0.10(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.