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

HCID 29984087CAS 581076-60-0

基本情報

標準SMILES: Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1[N+](=O)[O-]
InChIKey: GHWOXPOJAZVXAK-UHFFFAOYSA-N
分子式: C20H24N4O3
平均分子量: 368.4 g/mol
単同位体質量: 368.18484063

名称と識別子

優先名称: 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
英語名: N-(4-METHYL-3-NITROPHENYL)-4-(4-METHYLPIPERAZINOMETHYL)BENZAMIDE
分子式: C20H24N4O3
分子量: 368.43

名称と別名

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

名称をさらに表示

N-(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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.6
極性表面積: 81.4 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 27
形式電荷: 0
複雑度: 508

物理化学的性質

融点: 101 · 101-104°C
溶解性: クロロホルム、THF
外見: 個体
色: オフホワイト
CAS データベース: 581076 · 581076-60-0

化学的性質

化学的特性Off-White Solid

安全と法規制

GHS分類

GHS Classification · 4 件

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.