Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide |
EINECS | N/A |
CAS No. | 136450-11-8 | Density | 1.304 g/cm3 |
PSA | 92.33000 | LogP | 5.39168 |
Solubility | N/A | Melting Point |
N/A |
Formula | C27H22N2O4 | Boiling Point | 574.009 °C at 760 mmHg |
Molecular Weight | 438.483 | Flash Point | 300.95 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-(2-cyano-4-oxo-4H-chromen-8-yl)-4-(4-phenylbutoxy)benzamide; |
Article Data | 6 |
The N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide with the CAS number 136450-11-8 is also called N-(2-cyano-4-oxo-4H-chromen-8-yl)-4-(4-phenylbutoxy)benzamide. Its molecular formula is C27H22N2O4. 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: 4.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 1879; (6)ACD/BCF (pH 7.4): 1879; (7)ACD/KOC (pH 5.5): 7674; (8)ACD/KOC (pH 7.4): 7674; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 88.42 Å2; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 122.782 cm3; (15)Molar Volume: 336.19 cm3; (16)Polarizability: 48.675×10-24cm3; (17)Surface Tension: 63.653 dyne/cm; (18)Enthalpy of Vaporization: 86.009 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2ccc(OCCCCc1ccccc1)cc2)Nc4cccc3c4OC(/C#N)=C\C3=O
(2)InChI: InChI=1/C27H22N2O4/c28-18-22-17-25(30)23-10-6-11-24(26(23)33-22)29-27(31)20-12-14-21(15-13-20)32-16-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,29,31)
(3)InChIKey: ANMRPVKNZDBSIX-UHFFFAOYAE