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CAS No.: | 65709-29-7 |
---|---|
Name: | 2-(3-NITROPHENYL)PIPERAZINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H13N3O2 |
Molecular Weight: | 207.232 |
Synonyms: | 2-(3-Nitrophenyl)piperazine; |
EINECS: | 604-604-1 |
Density: | 1.187 g/cm3 |
Boiling Point: | 358.9 °C at 760 mmHg |
Flash Point: | 170.9 °C |
PSA: | 69.88000 |
LogP: | 2.00950 |
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The Piperazine, 2-(3-nitrophenyl)-, with the CAS registry number 65709-29-7, has the molecular formula C10H13N3O2. In addition, this chemical's molecular weight is 207.2291. Its systematic name is called 2-(3-nitrophenyl)piperazine.
Physical properties of Piperazine, 2-(3-nitrophenyl)-: (1)ACD/LogP: 0.24; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.556; (10)Molar Refractivity: 56.13 cm3; (11)Molar Volume: 174.5 cm3; (12)Surface Tension: 46 dyne/cm; (13)Density: 1.187 g/cm3; (14)Flash Point: 170.9 °C; (15)Enthalpy of Vaporization: 60.45 kJ/mol; (16)Boiling Point: 358.9 °C at 760 mmHg; (17)Vapour Pressure: 2.46E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1cc(ccc1)C2CNCCN2
(2)InChI: InChI=1/C10H13N3O2/c14-13(15)9-3-1-2-8(6-9)10-7-11-4-5-12-10/h1-3,6,10-12H,4-5,7H2
(3)InChIKey: VGANTLKDSNLDDD-UHFFFAOYAH