Basic Information | Post buying leads | Suppliers |
Name |
1H-Isoindole-1,3(2H)-dione, hexahydro-5-phenyl-, (3aS,5R,7aR)- |
EINECS | N/A |
CAS No. | 336185-25-2 | Density | 1.182 g/cm3 |
PSA | 46.17000 | LogP | 2.17170 |
Solubility | N/A | Melting Point |
134-136°C |
Formula | C14H15NO2 | Boiling Point | 433.1 °C at 760 mmHg |
Molecular Weight | 229.279 | Flash Point | 180.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
This chemical is called 1H-Isoindole-1,3(2H)-dione, hexahydro-5-phenyl-, (3aS,5R,7aR)-, and its systematic name is (3aR,5S,7aS)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione. With the molecular formula of C14H15NO2, its molecular weight is 229.27. The CAS registry number of this chemical is 336185-25-2. Additionally, keep this chemical in the cool and dry place.
Other characteristics of the 1H-Isoindole-1,3(2H)-dione, hexahydro-5-phenyl-, (3aS,5R,7aR)- can be summarised as followings: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 16.87; (6)ACD/BCF (pH 7.4): 16.87; (7)ACD/KOC (pH 5.5): 263.06; (8)ACD/KOC (pH 7.4): 263.05; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 62.99 cm3; (15)Molar Volume: 193.9 cm3; (16)Polarizability: 24.97×10-24cm3; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.182 g/cm3; (19)Flash Point: 180.6 °C; (20)Enthalpy of Vaporization: 68.9 kJ/mol; (21)Boiling Point: 433.1 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1NC(=O)[C@H]3[C@@H]1CC[C@H](c2ccccc2)C3
2.InChI: InChI=1/C14H15NO2/c16-13-11-7-6-10(8-12(11)14(17)15-13)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,15,16,17)/t10-,11-,12+/m0/s1
3.InChIKey: SHLALXCFPAKZHG-SDDRHHMPBU