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CAS No.: | 86732-32-3 |
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Name: | 2-BENZYL-TETRAHYDROPYRROLO[3,4-C] PYRROLE-1,3(2H,3AH)-DIONE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C13H14N2O2 |
Molecular Weight: | 230.266 |
Synonyms: | 2-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione;3-Benzyl-3,7-diazabicyclo[3.3.0]octane-2,4-dione; |
Density: | 1.27 g/cm3 |
Boiling Point: | 459.941 °C at 760 mmHg |
Flash Point: | 231.965 °C |
PSA: | 49.41000 |
LogP: | 0.65770 |
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The Pyrrolo[3, 4-c]pyrrole-1, 3(2H, 3aH)-dione,tetrahydro-2-(phenylmethyl)-, with the CAS registry number 86732-32-3, is also known as 2-Benzyl-tetrahydropyrrolo[3, 4-c] pyrrole-1, 3(2H, 3aH)-dione. This chemical's molecular formula is C13H14N2O2 and molecular weight is 230.26. What's more, its systematic name is 2-Benzyltetrahydropyrrolo[3, 4-c]pyrrole-1, 3(2H, 3aH)-dione.
Physical properties about Pyrrolo[3, 4-c]pyrrole-1, 3(2H, 3aH)-dione,tetrahydro-2-(phenylmethyl)- are: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 6; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 49.41 Å2; (11)Index of Refraction: 1.6; (12)Molar Refractivity: 62.065 cm3; (13)Molar Volume: 181.343 cm3; (14)Polarizability: 24.604×10-24 cm3; (15)Surface Tension: 51.575 dyne/cm; (16)Density: 1.27 g/cm3; (17)Flash Point: 231.965 °C; (18)Enthalpy of Vaporization: 72.053 kJ/mol; (19)Boiling Point: 459.941 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C3N(Cc1ccccc1)C(=O)C2CNCC23
(2) InChI: InChI=1/C13H14N2O2/c16-12-10-6-14-7-11(10)13(17)15(12)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2
(3) InChIKey: LASIKWRVUBLQPO-UHFFFAOYAR