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Name |
Octahydrocyclopenta[c]pyrrole |
EINECS | 227-114-5 |
CAS No. | 5661-03-0 | Density | 0.934 g/cm3 |
PSA | 12.03000 | LogP | 1.33470 |
Solubility | 1000g/L at 20℃ | Melting Point |
N/A |
Formula | C7H13N | Boiling Point | 165 °C at 760 mmHg |
Molecular Weight | 111.187 | Flash Point | 44.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Azabicyclo[3.3.0]octane;Octahydrocyclopenta[c]pyrrole; |
Article Data | 11 |
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