1-(1-(3-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-methylpiperazine

HCID 56777249

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 761440-65-7
표준 SMILES: COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-]
InChIKey: HNYSXOZEEKWPNM-UHFFFAOYSA-N
분자식: C17H26N4O3
평균 분자량: 334.4 g/mol
단동위원소 질량: 334.20049069

이름 및 식별자

우선 이름: 1-(1-(3-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-methylpiperazine
IUPAC: 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
영어명: 1-(1-(3-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-Methylpiperazine
분자식: C17H26N4O3
분자량: 334.41

이름 및 동의어

1-(1-(3-methoxy-4-nitrophenyl)piperidin-4-yl)-4-methylpiperazine1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine1-[1-(3-Methoxy-4-nitrophenyl)-4-piperidinyl]-4-methylpiperazine1-(1-(3-Methoxy-4-nitrophenyl)-4-piperidinyl)-4-methylpiperazineRefChem:419549890-514-9761440-65-7MFCD180725171-[1-(3-Methoxy-4-nitrophenyl)-4-piperidyl]-4-methylpiperazinePiperazine, 1-[1-(3-methoxy-4-nitrophenyl)-4-piperidinyl]-4-methyl-SCHEMBL375616HNYSXOZEEKWPNM-UHFFFAOYSA-N

이름 더 보기

1-[1-(3-Methoxy1-(1-(3-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-Methylpipera...1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine - [AC80867]1-(1-(3-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-Methylpiperazine ISO 9001：2015 REACH

DTXSID401171541AKOS027339034BS-29510SY275883DB-2904911-[1(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine1-[1-(3-methoxy-4-nitro-phenyl)-4-piperidyl]-4-methyl-piperazine1-[1-(3-methoxy-4-nitrophenyl)piperidin-4 yl]-4-methylpiperazine

데이터베이스 식별자

CAS: 761440-65-7
PubChem CID: 56777249
DTXSID: DTXSID401171541
EC Number: 890-514-9
Nikkaji: J2.943.564B

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 64.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 24
형식 전하: 0
복잡도: 415

물리화학적 성질

끓는 점: 488.9 · 488.9±45.0 °C(Predicted)
밀도: 1.195 · 1.195±0.06 g/cm3(Predicted)
산도 계수 (pKa): 8.14 · 8.14±0.42(Predicted)
InChI: InChI=1S/C17H26N4O3/c1-18-9-11-20(12-10-18)14-5-7-19(8-6-14)15-3-4-16(21(22)23)17(13-15)24-2/h3-4,13-14H,5-12H2,1-2H3
InChIKey: HNYSXOZEEKWPNM-UHFFFAOYSA-N
SMILES: N1(C2CCN(C3=CC=C([N+]([O-])=O)C(OC)=C3)CC2)CCN(C)CC1

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesNot Classified

화학 및 산업

상·하류 제품 정보

상류 원료

공급사79 곳

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]

凯曦（武汉）生物科技有限公司18086025538

화합물 노트

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