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CAS No.: | 331652-58-5 |
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Name: | 3,5-Dimethyl-1-(4-nitrophenyl)piperazine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C12H17N3O2 |
Molecular Weight: | 235.286 |
Synonyms: | piperazine, 3,5-dimethyl-1-(4-nitrophenyl)-; |
Density: | 1.122 g/cm3 |
Boiling Point: | 393.7 °C at 760 mmHg |
Flash Point: | 191.9 °C |
PSA: | 61.09000 |
LogP: | 2.69840 |
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The 3,5-Dimethyl-1-(4-nitrophenyl)piperazine with the CAS number 331652-58-5 is also called piperazine, 3,5-dimethyl-1-(4-nitrophenyl)-. Its molecular formula is C12H17N3O2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 52.3 Å2; (7)Index of Refraction: 1.54; (8)Molar Refractivity: 65.76 cm3; (9)Molar Volume: 209.5 cm3; (10)Polarizability: 26.07×10-24cm3; (11)Surface Tension: 38.5 dyne/cm ; (12)Enthalpy of Vaporization: 64.36 kJ/mol; (13)Vapour Pressure: 2.09×10-6 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)N2CC(NC(C2)C)C
(2)InChI: InChI=1/C12H17N3O2/c1-9-7-14(8-10(2)13-9)11-3-5-12(6-4-11)15(16)17/h3-6,9-10,13H,7-8H2,1-2H3
(3)InChIKey: UBLZWKCJZSDBGQ-UHFFFAOYAS