CAS No.59702-21-5,1-Benzylpiperazine-2-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59702-21-5
Name:	1-Benzylpiperazine-2-one
Article Data:	11

Formula:	C₁₁H₁₄N₂O
Molecular Weight:	190.245
Synonyms:	2-Piperazinone, 1-(phenylmethyl)-;
Density:	1.13 g/cm³
Boiling Point:	380.4 °C at 760 mmHg
Flash Point:	183.9 °C
PSA:	32.34000
LogP:	0.88510

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Specification

The 1-Benzylpiperazine-2-one, with the CAS registry number 59702-21-5, is also known as 2-Piperazinone, 1-(phenylmethyl)-. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₁H₁₄N₂O and molecular weight is 190.24. What's more, its systematic name is called 1-Benzylpiperazin-2-one.

Physical properties about 1-Benzylpiperazine-2-one are: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.61; (7)ACD/KOC (pH 5.5): 6.87; (8)ACD/KOC (pH 7.4): 47.86; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 54.65 cm³; (15)Molar Volume: 168.3 cm³; (16)Surface Tension: 44.2 dyne/cm; (17)Density: 1.13 g/cm³; (18)Flash Point: 183.9 °C; (19)Enthalpy of Vaporization: 62.85 kJ/mol; (20)Boiling Point: 380.4 °C at 760 mmHg; (21)Vapour Pressure: 5.47E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2N(Cc1ccccc1)CCNC2
(2) InChI: InChI=1/C11H14N2O/c14-11-8-12-6-7-13(11)9-10-4-2-1-3-5-10/h1-5,12H,6-9H2
(3) InChIKey: BNPCRHWMJSUKDM-UHFFFAOYAW