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CAS No.: | 16155-08-1 |
---|---|
Name: | 1-BENZYL-4-(4-NITROPHENYL)PIPERAZINE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C17H19N3O2 |
Molecular Weight: | 297.357 |
Synonyms: | Piperazine,1-benzyl-4-(p-nitrophenyl)- (8CI);1-Benzyl-4-(4-nitrophenyl)piperazine;4-(4-Benzylpiperazin-1-yl)-1-nitrobenzene; |
Density: | 1.224 g/cm3 |
Melting Point: | 112 °C |
Boiling Point: | 461.7 °C at 760 mmHg |
Flash Point: | 233.1 °C |
PSA: | 52.30000 |
LogP: | 3.44310 |
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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