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58198-49-5

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Basic Information
CAS No.: 58198-49-5
Name: 1-(4-Nitrobenzyl)PiperazineHydrochloride
Article Data: 16
Molecular Structure:
Molecular Structure of 58198-49-5 (1-(4-Nitrobenzyl)PiperazineHydrochloride)
Formula: C11H15 N3 O2
Molecular Weight: 221.259
Synonyms: 1-(4-Nitrobenzyl)piperazine;1-[(4-Nitrophenyl)methyl]piperazine
Density: g/cm3
Melting Point: 122-123 °C
Boiling Point: 365.8°Cat760mmHg
Flash Point: 175.1°C
PSA: 61.09000
LogP: 1.78990
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Chemistry

Molecular Structure of 1-[(4-Nitrophenyl)methyl]piperazine (CAS NO.58198-49-5):

Systematic Name: 1-(4-Nitrobenzyl)piperazine 
Molecular Formula: C11H15N3O2
Molecular Weight: 221.26 
Mol File: 58198-49-5.mol 
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 3
Index of Refraction: 1.579
Molar Refractivity: 61.07 cm3
Molar Volume: 183.6 cm3
Surface Tension: 49 dyne/cm
Density: 1.204 g/cm3
Flash Point: 175.1 °C
Enthalpy of Vaporization: 61.22 kJ/mol
Boiling Point: 365.8 °C at 760 mmHg
Vapour Pressure: 1.53E-05 mmHg at 25°C
SMILES: [O-][N+](=O)c1ccc(cc1)CN2CCNCC2
InChI: InChI=1/C11H15N3O2/c15-14(16)11-3-1-10(2-4-11)9-13-7-5-12-6-8-13/h1-4,12H,5-9H2
InChIKey: VDHHZWTYFFZYBM-UHFFFAOYAX

Specification

 1-[(4-Nitrophenyl)methyl]piperazine (CAS NO.58198-49-5), its Synonyms are Piperazine,1-[(4-nitrophenyl)methyl]- ; 1-(4-Nitrobenzyl)piperazine ; N-(p-Nitrobenzyl)piperazine hydrochloride ; Piperazine, 1-((4-nitrophenyl)methyl)-, hydrochloride ; Piperazine, N-(p-nitrobenzyl)-, hydrochloride .