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CAS No.: | 496-13-9 |
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Name: | 2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDINE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H8N2 |
Molecular Weight: | 120.154 |
Synonyms: | 2,3-Dihydro-1H-pyrrolo[3,4-c]pyridine; |
Density: | 1.115 g/cm3 |
Boiling Point: | 212.4 °C at 760 mmHg |
Flash Point: | 82.3 °C |
PSA: | 24.92000 |
LogP: | 1.01360 |
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This chemical is called 1H-Pyrrolo[3,4-c]pyridine,2,3-dihydro-, and its systematic name is 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine. With the molecular formula of C7H8N2, its molecular weight is 120.15. The CAS registry number of this chemical is 496-13-9. Additionally, its product category is Pyrrolidine.
Other characteristics of the 1H-Pyrrolo[3,4-c]pyridine,2,3-dihydro- can be summarised as followings: (1)ACD/LogP: -0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.6; (4)ACD/LogD (pH 7.4): -0.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 11.33; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 35.25 cm3; (15)Molar Volume: 107.7 cm3; (16)Polarizability: 13.97×10-24cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.114 g/cm3; (19)Flash Point: 82.3 °C; (20)Enthalpy of Vaporization: 44.87 kJ/mol; (21)Boiling Point: 212.4 °C at 760 mmHg; (22)Vapour Pressure: 0.173 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1ccc2c(c1)CNC2
2.InChI: InChI=1/C7H8N2/c1-2-8-4-7-5-9-3-6(1)7/h1-2,4,9H,3,5H2
3.InChIKey: HIACNNDCIUUION-UHFFFAOYAU