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| CAS No.: | 5661-03-0 |
|---|---|
| Name: | octahydrocyclopenta[c]pyrrole |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C7H13N |
| Molecular Weight: | 111.187 |
| Synonyms: | 3-Azabicyclo[3.3.0]octane;Octahydrocyclopenta[c]pyrrole; |
| EINECS: | 227-114-5 |
| Density: | 0.934 g/cm3 |
| Boiling Point: | 165 °C at 760 mmHg |
| Flash Point: | 44.8 °C |
| Solubility: | 1000g/L at 20℃ |
| PSA: | 12.03000 |
| LogP: | 1.33470 |
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Specification
The Cyclopenta[c]pyrrole,octahydro-, with the CAS registry number 5661-03-0, is also known as 3-Azabicyclo[3.3.0]octane and Octahydrocyclopenta[c]pyrrole. Its EINECS registry number is 227-114-5. This chemical's molecular formula is C7H13N and molecular weight is 111.1848. What's more, its IUPAC name is 1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrole.
Physical properties about Cyclopenta[c]pyrrole,octahydro- are: (1) ACD/LogP: 1.35; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.75; (4) ACD/LogD (pH 7.4): -1.71; (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: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 3.24 Å2; (13) Index of Refraction: 1.478; (14) Molar Refractivity: 33.68 cm3; (15) Molar Volume: 118.9 cm3; (16) Polarizability: 13.35×10-24 cm3; (17) Surface Tension: 31.4 dyne/cm; (18) Density: 0.934 g/cm3; (19) Flash Point: 44.8 °C; (20) Enthalpy of Vaporization: 40.15 kJ/mol; (21) Boiling Point: 165 °C at 760 mmHg; (22) Vapour Pressure: 1.92 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N2CC1CCCC1C2
(2) InChI: InChI=1/C7H13N/c1-2-6-4-8-5-7(6)3-1/h6-8H,1-5H2
(3) InChIKey: UZHVXJZEHGSWQV-UHFFFAOYAD