The 4-Hydroxybenzoic acid - 1-phenylpiperazine (1:1), with the CAS registry number 23168-25-4, is also known as Benzoic Piperazine, 1-phenyl-, mono(p-hydroxybenzoate) (8CI). This chemical's molecular formula is C10H14N2·C7H6O3 and molecular weight is 300.35. What's more, its systematic name is 4-Hydroxybenzoic acid - 1-phenylpiperazine (1:1).
Physical properties of 4-Hydroxybenzoic acid - 1-phenylpiperazine (1:1) are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 6.48 Å2; (7)Flash Point: 138.3 °C; (8)Enthalpy of Vaporization: 52.64 kJ/mol; (9)Boiling Point: 287.2 °C at 760 mmHg; (10)Vapour Pressure: 0.00252 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(O)cc1.c1cc(ccc1)N2CCNCC2
(2)Std. InChI: InChI=1S/C10H14N2.C7H6O3/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;8-6-3-1-5(2-4-6)7(9)10/h1-5,11H,6-9H2;1-4,8H,(H,9,10)
(3)Std. InChIKey: PAWVHPQMYQGDLA-UHFFFAOYSA-N
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