Piperazine,1-(4-nitrophenyl)-4-(phenylmethyl)- supplier

Name
1-BENZYL-4-(4-NITROPHENYL)PIPERAZINE
EINECS
CAS No. 16155-08-1
Article Data18
CAS DataBase
Density 1.224 g/cm³
Solubility
Melting Point 112 °C
Formula C₁₇H₁₉N₃O₂
Boiling Point 461.7 °C at 760 mmHg
Molecular Weight 297.357
Flash Point 233.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Piperazine,1-benzyl-4-(p-nitrophenyl)- (8CI);1-Benzyl-4-(4-nitrophenyl)piperazine;4-(4-Benzylpiperazin-1-yl)-1-nitrobenzene;
PSA 52.30000
LogP 3.44310

Piperazine,1-(4-nitrophenyl)-4-(phenylmethyl)- Specification

The Piperazine,1-(4-nitrophenyl)-4-(phenylmethyl)- is an organic compound with the formula C₁₇H₁₉N₃O₂. The systematic name of this chemical is 1-Benzyl-4-(4-nitrophenyl)piperazine. With the CAS registry number 16155-08-1, it is also named as 1-(4-Nitrophenyl)-4-benzylpiperazine. Besides, its molecular weight is 297.35.

Physical properties about Piperazine,1-(4-nitrophenyl)-4-(phenylmethyl)- are: (1) ACD/LogP: 3.75; (2)ACD/LogD (pH 5.5): 3.35; (3)ACD/LogD (pH 7.4): 3.74; (4)ACD/BCF (pH 5.5): 165.67; (5)ACD/BCF (pH 7.4): 409.61; (6)ACD/KOC (pH 5.5): 1037.67; (7)ACD/KOC (pH 7.4): 2565.64; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.3 Å²; (11)Index of Refraction: 1.623; (12)Molar Refractivity: 85.73 cm³; (13)Molar Volume: 242.9 cm³; (14)Polarizability: 33.98×10^-24 cm³; (15)Surface Tension: 53.8 dyne/cm; (16)Density: 1.224 g/cm³; (17)Flash Point: 233.1 °C; (18)Enthalpy of Vaporization: 72.27 kJ/mol; (19)Boiling Point: 461.7 °C at 760 mmHg; (20)Vapour Pressure: 1.05E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C17H19N3O2/c21-20(22)17-8-6-16(7-9-17)19-12-10-18(11-13-19)14-15-4-2-1-3-5-15/h1-9H,10-14H2
(2)InChIKey: NKULTGZUGOISIZ-UHFFFAOYAY
(3)Std. InChI: InChI=1S/C17H19N3O2/c21-20(22)17-8-6-16(7-9-17)19-12-10-18(11-13-19)14-15-4-2-1-3-5-15/h1-9H,10-14H2
(4)Std. InChIKey: NKULTGZUGOISIZ-UHFFFAOYSA-N

Product Name

1-BENZYL-4-(4-NITROPHENYL)PIPERAZINE

Piperazine,1-(4-nitrophenyl)-4-(phenylmethyl)- Specification

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