N-(4-메틸-3-니트로페닐)-4-(4-메틸피페라지노메틸)벤즈아미드

N-(4-Methyl-3-nitro-phenyl)-4-(4-methyl-piperazin-1-ylmethyl)-benzamide

HCID 29984087CAS 581076-60-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1[N+](=O)[O-]
InChIKey: GHWOXPOJAZVXAK-UHFFFAOYSA-N
분자식: C20H24N4O3
평균 분자량: 368.4 g/mol
단동위원소 질량: 368.18484063

이름 및 식별자

우선 이름: N-(4-Methyl-3-nitro-phenyl)-4-(4-methyl-piperazin-1-ylmethyl)-benzamide
IUPAC: N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
현지명: N-(4-메틸-3-니트로페닐)-4-(4-메틸피페라지노메틸)벤즈아미드
영어명: N-(4-METHYL-3-NITROPHENYL)-4-(4-METHYLPIPERAZINOMETHYL)BENZAMIDE
분자식: C20H24N4O3
분자량: 368.43

이름 및 동의어

EC 611-622-2N-(4-Methyl-3-nitro-phenyl)-4-(4-methyl-piperazin-1-ylmethyl)-benzamideRefChem:827799611-622-2581076-60-0N-(4-METHYL-3-NITROPHENYL)-4-(4-METHYLPIPERAZINOMETHYL)BENZAMIDEN-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamideN-(4-Methyl-3-nitrophenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamideGHWOXPOJAZVXAK-UHFFFAOYSA-NN-(3-Nitro-4-methyl-phenyl)-4-(4-methyl-piperazin-1-yl)-benzamide; N-(4-Methyl-3-nitrophenyl)-4-[(4-methyl-1-piperazinyl)methyl]benzamide;SCHEMBL846629DTXSID30652652

이름 더 보기

N-(4-메틸-3-니트로페닐)-4-(4-메틸피페라지노메틸)벤즈아미드N-(3-Nitro-4-methyl-phenyl)-4-(4-methyl-piperazin-1-yl)-benzamideN-(4-Methyl-3-nitrophenyl)-4-[(4-Methyl-1-piperazinyl)Methyl]benzaMideBenzamide, N-(4-methyl-3-nitrophenyl)-4-[(4-methyl-1-piperazinyl)methyl]-

DB-308661NS00009237N-(4-Methyl-3-nitro-phenyl)4-(4-methyl-piperazin-1-ylmethyl)-benzamideN-(4-methyl-3-nitrophenyl)-4-(4-methyl-piperazin-1-ylmethyl)-benzamideN-(4-methyl-3-nitrophenyl)-4-(4-methylpiper-azin-1-ylmethyl)benzamide

데이터베이스 식별자

CAS: 581076-60-0
PubChem CID: 29984087
DTXSID: DTXSID30652652
EC Number: 611-622-2

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 81.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 27
형식 전하: 0
복잡도: 508

물리화학적 성질

녹는점: 101 · 101-104°C
용해도: 클로로포름, THF에 용해됨
물리적 상태: 고체
색상: 회백색

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.