5-(4-메틸피페라진-1-일)-2-니트로아닐린

5-(4-Methylpiperazin-1-yl)-2-nitroaniline

HCID 2760034

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 23491-48-7
표준 SMILES: CN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1
InChIKey: MWLBMGPQZJDFKZ-UHFFFAOYSA-N
분자식: C11H16N4O2
평균 분자량: 236.27 g/mol
단동위원소 질량: 236.12732575

이름 및 식별자

우선 이름: 5-(4-Methylpiperazin-1-yl)-2-nitroaniline
IUPAC: 5-(4-methylpiperazin-1-yl)-2-nitroaniline
현지명: 5-(4-메틸피페라진-1-일)-2-니트로아닐린
영어명: 5-(4-Methylpiperazin-1-yl)-2-nitroaniline
분자식: C11H16N4O2
분자량: 236.27

이름 및 동의어

23491-48-75-(4-methylpiperazin-1-yl)-2-nitroanilineDTXSID20374997RefChem:101711DTXCID70326027673-328-05-(4-Methylpiperazin-1-yl)-2-nitrophenylamine5-(4-methylpiperazino)-2-nitroaniline5-(4-Methyl-piperazin-1-yl)-2-nitro-phenylamineMFCD00545964CHEMBL13708635-(4-methylpiperazin-1-yl)-2-nitrobenzenamine

이름 더 보기

5-(4-메틸피페라진-1-일)-2-니트로아닐린SIRT6-IN-6BUTTPARK 17\04-695-(4-Methylpiperazino)-2-Nitro5-(4-methylpiperazine) -2-nitroaniline5-(4-Methylpiperazin-1-yl)-2-nitroaniline-71-(3-Amino-4-nitrophenyl)-4-methylpiperazine

5-(4-Methyl-piperazin-1-yl)-2-nitroaniline5-(4-methylpiperazinyl)-2-nitrophenylamine5-(4-Methyl-1-piperazinyl)-2-nitroaniline5-(4-methylpiperazin-1-yl)-2-nitro-aniline1-{3-amino-4-nitrophenyl}-4-methylpiperazineOprea1_384504SCHEMBL77148benzenamine, 5-(4-methyl-1-piperazinyl)-2-nitro-

데이터베이스 식별자

CAS: 23491-48-7
PubChem CID: 2760034
DTXSID: DTXSID20374997
ChEMBL: CHEMBL1370863
EC Number: 673-328-0

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 78.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 273

물리화학적 성질

녹는점: 152 · 152-155°C
끓는 점: 444.2 · 444.2±45.0 °C(Predicted)
밀도: 1.264 · 1.264±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 7.35 · 7.35±0.42(Predicted)
InChI: InChI=1S/C11H16N4O2/c1-13-4-6-14(7-5-13)9-2-3-11(15(16)17)10(12)8-9/h2-3,8H,4-7,12H2,1H3
InChIKey: MWLBMGPQZJDFKZ-UHFFFAOYSA-N
SMILES: C1(N)=CC(N2CCN(C)CC2)=CC=C1[N+]([O-])=O

화학적 성질

Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

HS 번호: 29335990
hazard_code: Xi
safety_code: 24/25
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도5-(4-Methylpiperazin-1-yl)-2-nitroaniline and its derivatives are used as inhibitors of SIRT6 for the treatment of diabetes.

상·하류 제품 정보

상류 원료

하류 제품

훽스트33342

공급사100 곳

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上海达立康医药科技有限公司18658316824

宁波振岳医药科技有限公司19817745290 · [email protected]

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