CAS 581076-60-0 N-(4-Methyl-3-nitro-phenyl)-4-(4-methyl-piperazin-1-ylmethyl)-benzamide (HCID 29984087)

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Basic information

CAS: 581076-60-0
Standard SMILES: Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1[N+](=O)[O-]
InChIKey: GHWOXPOJAZVXAK-UHFFFAOYSA-N
Molecular formula: C20H24N4O3
Average molar mass: 368.4 g/mol
Monoisotopic mass: 368.18484063

Names & identifiers

Preferred name: 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
English name: N-(4-METHYL-3-NITROPHENYL)-4-(4-METHYLPIPERAZINOMETHYL)BENZAMIDE
Molecular formula: C20H24N4O3
Molecular weight: 368.43

Names & synonyms

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

Show more names

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

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 508

Physicochemical properties

Melting point: 101 · 101-104°C
solubility: Chloroform, THF
form: Solid
color: Off-White
CAS DataBase Reference: 581076 · 581076-60-0
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 410 · H410-H400-H317
Precautionary statements: 273 · P273-P391-P501-P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory InformationStatus: Active Update: 30-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33525

Hazard Classes and CategoriesSkin Sens. 1B (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07,GHS09
Hazard statements: H410-H400-H317
REACH Registrations: Active
Precautionary statements: P273-P391-P501-P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501