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| CAS No.: | 351370-98-4 |
|---|---|
| Name: | 2-BENZYL-OCTAHYDRO-PYRROLO[3,4-C]PYRIDINE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C14H20N2 |
| Molecular Weight: | 216.326 |
| Synonyms: | 2-benzyloctahydro-1H-pyrrolo[3.4-c]pyridine;2-Benzyl-octahydro-pyrrol-3,4-cpyridine;2-Benzyloctahydropyrrolo[3,4-c]pyridine; |
| Density: | 1.05 g/cm3 |
| Boiling Point: | 317.725 °C at 760 mmHg |
| Flash Point: | 127.296 °C |
| PSA: | 15.27000 |
| LogP: | 1.99460 |
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Specification
The 1H-Pyrrolo[3, 4-c]pyridine, octahydro-2-(phenylmethyl)-, with the CAS registry number of 351370-98-4, is also known as 2-Benzyl-octahydro-pyrrolo[3, 4-c]pyridine and 2-Benzyl-octahydro-pyrrol-3, 4-cpyridine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C14H20N2 and molecular weight is 216.32. What's more, its IUPAC name is 2-Benzyl-1, 3, 3α, 4, 5, 6, 7, 7α-octahydropyrrolo[3, 4-c]pyridine.
Physical properties about 1H-Pyrrolo[3, 4-c]pyridine, octahydro-2-(phenylmethyl)- are: (1)ACD/LogP: 2.00; (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): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 15.27 Å2; (11)Index of Refraction: 1.558; (12)Molar Refractivity: 66.416 cm3; (13)Molar Volume: 206.086 cm3; (14)Polarizability: 26.329×10-24 cm3; (15)Surface Tension: 39.212 dyne/cm; (16)Density: 1.05 g/cm3; (17)Flash Point: 127.296 °C; (18)Enthalpy of Vaporization: 55.916 kJ/mol; (19)Boiling Point: 317.725 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1C3CCNCC3CN1Cc2ccccc2
(2) InChI: InChI=1/C14H20N2/c1-2-4-12(5-3-1)9-16-10-13-6-7-15-8-14(13)11-16/h1-5,13-15H,6-11H2
(3) InChIKey: VZMAYQMDXZLZFZ-UHFFFAOYAK