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1-Piperazinecarboxamide,N-(4-bromobenzoyl)-4-methyl- (6312-50-1)

Identification
Name:1-Piperazinecarboxamide,N-(4-bromobenzoyl)-4-methyl-
Synonyms:1-Piperazinecarboxamide,N-(p-bromobenzoyl)-4-methyl- (8CI); NSC 40345
CAS:6312-50-1
Molecular Formula: C13H16 Br N3 O2
Molecular Weight: 326.19
InChI: InChI=1/C13H16BrN3O2/c1-16-6-8-17(9-7-16)13(19)15-12(18)10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,18,19)
Molecular Structure: (C13H16BrN3O2) 1-Piperazinecarboxamide,N-(p-bromobenzoyl)-4-methyl- (8CI); NSC 40345
Properties
Density:1.454 g/cm3
Refractive index:1.59
Specification:

The N-(4-Bromobenzoyl)-4-methylpiperazine-1-carboxamide, its cas register number is 6312-50-1. It also can be called as 1-Piperazinecarboxamide,N-(4-bromobenzoyl)-4-methyl- and the Systematic name about this chemical is N-(4-bromobenzoyl)-4-methylpiperazine-1-carboxamide.

Following are the chemical properties about N-(4-Bromobenzoyl)-4-methylpiperazine-1-carboxamide: (1)#H bond acceptors: 5; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 43.86Å2; (5)Index of Refraction: 1.59; (6)Molar Refractivity: 75.74 cm3; (7)Molar Volume: 224.2 cm3; (8)Polarizability: 30.02x10-24cm3; (9)Surface Tension: 50.2 dyne/cm

This chemical can be described computed from structure:
(1)Canonical SMILES: CN1CCN(CC1)C(=O)NC(=O)C2=CC=C(C=C2)Br
(2)InChI: InChI=1S/C13H16BrN3O2/c1-16-6-8-17(9-7-16)13(19)15-12(18)10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,18,19)
(3)InChIKey: LUWIKRVXBFEEHB-UHFFFAOYSA-N

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