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

HCID 29984087CAS 581076-60-0

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Grundinformationen

Standard-SMILES: Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1[N+](=O)[O-]
InChIKey: GHWOXPOJAZVXAK-UHFFFAOYSA-N
Summenformel: C20H24N4O3
Durchschnittliche Molmasse: 368,4 g/mol
Monoisotopische Masse: 368,18484063

Namen und Bezeichner

Bevorzugter 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
Englischer Name: N-(4-METHYL-3-NITROPHENYL)-4-(4-METHYLPIPERAZINOMETHYL)BENZAMIDE
Summenformel: C20H24N4O3
Molmasse: 368.43

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 81,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 27
Formalladung: 0
Komplexität: 508

Physikochemische Eigenschaften

Schmelzpunkt: 101 · 101-104°C
Löslichkeit: Chloroform, THF
Aggregatzustand: Solid
Farbe: Off-White
CAS Datenbank: 581076 · 581076-60-0

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.