1-PHENYLPIPERAZINE

The Piperazine, 1-phenyl-, with the CAS registry number 63921-23-3, is also known as AKOS BBS-00003581. Its EINECS registry number is 202-165-6. This chemical's molecular formula is and molecular weight is 162.23. What's more, its systematic name is 1-Phenylpiperazine.

Physical properties about Piperazine, 1-phenyl- are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.71; (4)ACD/LogD (pH 7.4): -0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 5.26; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 49.8 cm³; (15)Molar Volume: 157.7 cm³; (16)Polarizability: 19.74×10^-24 cm³; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.028 g/cm³; (19)Flash Point: 138.3 °C; (20)Enthalpy of Vaporization: 52.64 kJ/mol; (21)Boiling Point: 287.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00252 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful if swallowed and toxic in contact with skin. In addition, this chemical may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1)N2CCNCC2
(2) InChI: InChI=1/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2
(3) InChIKey: YZTJYBJCZXZGCT-UHFFFAOYAS