4-(4-메틸피페라지노)아닐린

4-(4-Methylpiperazin-1-yl)aniline

HCID 737253CAS 16153-81-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCN(c2ccc(N)cc2)CC1
InChIKey: MOZNZNKHRXRLLF-UHFFFAOYSA-N
분자식: C11H17N3
평균 분자량: 191.27 g/mol
단동위원소 질량: 191.14224754

이름 및 식별자

우선 이름: 4-(4-Methylpiperazin-1-yl)aniline
IUPAC: 4-(4-methylpiperazin-1-yl)aniline
현지명: 4-(4-메틸피페라지노)아닐린
영어명: 4-(4-Methylpiperazino)aniline
분자식: C11H17N3
분자량: 191.27

이름 및 동의어

4-(4-methylpiperazin-1-yl)anilineRefChem:514430675-543-516153-81-44-(4-Methylpiperazino)aniline4-(4-Methylpiperazin-1-yl)phenylamine4-(4-methyl-1-piperazinyl)aniline4-Methyl-1-(4-aminophenyl)piperazine1-(4-Aminophenyl)-4-methylpiperazineBenzenamine, 4-(4-methyl-1-piperazinyl)-MFCD001727034-(4-methylpiperazin-1-yl)benzenamine

이름 더 보기

4-(4-메틸피페라지노)아닐린4-(4-MethyLAKOS B021941AKOS BB-8657piperazino)aniLART-CHEM-BB B021941OTAVA-BB BB7110920492

4-(4-Methyl-piperazin-1-yl)-phenylamineCHEMBL3414734-(4-methylpiperazinyl)phenylamineMLS000557450Oprea1_401071SCHEMBL56547SCHEMBL574835SCHEMBL574836

데이터베이스 식별자

CAS: 16153-81-4
PubChem CID: 737253
DTXSID: DTXSID90353214
ChEMBL: CHEMBL341473
EC Number: 675-543-5
Nikkaji: J2.530.376H

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 32.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 167

물리화학적 성질

녹는점: 89 °C · 89 °C
끓는 점: 180 °C/5mmHg · 180°C/5mmHg(lit.)
밀도: 1.092 · 1.092±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: DMSO(적게), 메탄올(약간)에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 8.08 · 8.08±0.42(Predicted)
색상: 매우 어두운 회색에서 검정색까지
InChI: InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
InChIKey: MOZNZNKHRXRLLF-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(N2CCN(C)CC2)C=C1

화학적 성질

Purple solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (27.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (27.3%)

안전 데이터

ridadr: 3259
HS 번호: 29349990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive

화학 및 산업

응용 분야

용도4-(4-Methylpiperazino)aniline is a reagent in the preparation of benzyloxypyridinone derivative which has c-Met kinase inhibitor properties.

상·하류 제품 정보

상류 원료

하류 제품

올무티닙 4-Quinolinamine, N-[4-(4-methyl-1-piperazinyl)phenyl]-6-phenyl-4H-Pyrrolo[2,3-d]pyriMidin-4-one, 3,7-dihydro-2-[[4-(4-Methyl-1-piperazinyl)phenyl]aMino]-6-Bromo-8-ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one 2-Bromo-4-(4-methylpiperazin-1-yl)aniline

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

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