Cyclopenta[c]pyrrole,octahydro-, (3aR,6aS)-rel- supplier

Name
cis-7-Azabicyclo[3.3.0]octane
EINECS
CAS No. 1468-87-7
Article Data11
CAS DataBase
Density 0.934 g/cm³
Solubility
Melting Point
Formula C₇H₁₃N
Boiling Point 164.956 °C at 760 mmHg
Molecular Weight 111.187
Flash Point 44.828 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclopenta[c]pyrrole,octahydro-, cis- (8CI);cis-7-Azabicyclo[3.3.0]octane;
PSA 12.03000
LogP 1.33470

Cyclopenta[c]pyrrole,octahydro-, (3aR,6aS)-rel- Specification

The Cyclopenta[c]pyrrole,octahydro-, (3aR,6aS)-rel-, with the CAS registry number 1468-87-7, is also known as Cyclopenta[c]pyrrole,octahydro-, cis- (8CI) and cis-7-Azabicyclo[3.3.0]octane. This chemical's molecular formula is C₇H₁₃N and molecular weight is 111.1848. What's more, its systematic name is (3aR,6aS)-1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrole.

Physical properties about Cyclopenta[c]pyrrole,octahydro-, (3aR,6aS)-rel- are: (1) ACD/LogP: 1.21; (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: 1; (8) #H bond donors: 1; (9) #Freely Rotating Bonds: 0; (10) Polar Surface Area: 12.03 Å²; (11) Index of Refraction: 1.478; (12) Molar Refractivity: 33.683 cm³; (13) Molar Volume: 118.984 cm³; (14) Polarizability: 13.353×10^-24 cm³; (15) Surface Tension: 31.477 dyne/cm; (16) Density: 0.934 g/cm³; (17) Flash Point: 44.828 °C; (18) Enthalpy of Vaporization: 40.146 kJ/mol; (19) Boiling Point: 164.956 °C at 760 mmHg; (20) Vapour Pressure: 1.918 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1C[C@@H]2CNC[C@@H]2C1
(2) InChI: InChI=1/C7H13N/c1-2-6-4-8-5-7(6)3-1/h6-8H,1-5H2/t6-,7+
(3) InChIKey: UZHVXJZEHGSWQV-KNVOCYPGBF

Product Name

cis-7-Azabicyclo[3.3.0]octane

Cyclopenta[c]pyrrole,octahydro-, (3aR,6aS)-rel- Specification

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