Basic Information | Post buying leads | Suppliers |
Name |
4H-1-Benzopyran-4-one,8-phenyl-2-(1-piperazinyl)- |
EINECS | N/A |
CAS No. | 154447-38-8 | Density | 1.237 g/cm3 |
PSA | 45.48000 | LogP | 3.26340 |
Solubility | N/A | Melting Point |
N/A |
Formula | C19H18N2O2 | Boiling Point | 496.1 °C at 760 mmHg |
Molecular Weight | 306.3584 | Flash Point | 253.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(4-Piperazinyl)-8-phenyl-4H-1-benzopyran-4-one; |
The 4H-1-Benzopyran-4-one,8-phenyl-2-(1-piperazinyl)-, with the CAS registry number of 154447-38-8, is also known as 2-(4-Piperazinyl)-8-phenyl-4H-1-benzopyran-4-one. Its molecular formula is C19H18N2O2 and molecular weight is 306.363. What's more, its IUPAC name is 8-Phenyl-2-piperazin-1-ylchromen-4-one.
Physical properties about the 4H-1-Benzopyran-4-one,8-phenyl-2-(1-piperazinyl)- are: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.06; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 9.46; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 87.75 cm3; (15)Molar Volume: 247.5 cm3; (16)Surface Tension: 50.3 dyne/cm; (17)Density: 1.237 g/cm3; (18)Flash Point: 253.8 °C; (19)Enthalpy of Vaporization: 76.38 kJ/mol; (20)Boiling Point: 496.1 °C at 760 mmHg; (21)Vapour Pressure: 5.57E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c3c(O/C(=C/1)N2CCNCC2)c(ccc3)c4ccccc4
(2) InChI: InChI=1/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2
(3) InChIKey: NGAGMBNBKCDCDJ-UHFFFAOYAU