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| CAS No.: | 147459-51-6 |
|---|---|
| Name: | cis-Octahydropyrrolo[3,4-b]pyridine |
| Molecular Structure: | |
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| Formula: | C7H14N2 |
| Molecular Weight: | 126.20 |
| Synonyms: | 1H-Pyrrolo[3,4-b]pyridine,octahydro-, cis-;cis-2,8-Diazabicyclo[4.3.0]nonane;cis-Octahydropyrrolo[3,4-b]pyridine; |
| EINECS: | 1806241-263-5 |
| Density: | 0.95 g/cm3 |
| Boiling Point: | 198.5 °C at 760 mmHg |
| Flash Point: | 87.1 °C |
| PSA: | 24.06000 |
| LogP: | 0.61540 |
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Specification
This chemical is called (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine, and its CAS registry number is 147459-51-6. With the molecular formula of C7H14N2, its molecular weight is 126.20.
Other characteristics of the (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine can be summarised as followings: (1)ACD/LogP: -0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.39; (4)ACD/LogD (pH 7.4): -3.58; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 37.03 cm3; (15)Molar Volume: 132.7 cm3; (16)Polarizability: 14.68×10-24cm3; (17)Surface Tension: 31.5 dyne/cm; (18)Density: 0.95 g/cm3; (19)Flash Point: 87.1 °C; (20)Enthalpy of Vaporization: 43.47 kJ/mol; (21)Boiling Point: 198.5 °C at 760 mmHg; (22)Vapour Pressure: 0.358 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N2C[C@@H]1NCCC[C@@H]1C2
2.InChI: InChI=1/C7H14N2/c1-2-6-4-8-5-7(6)9-3-1/h6-9H,1-5H2/t6-,7+/m1/s1
3.InChIKey: KSCPLKVBWDOSAI-RQJHMYQMBW