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3-Azabicyclo[3.1.0]hexane-6-carboxylicacid, ethyl ester, (1a,5a,6a)- (174456-77-0)

Identification
Name:3-Azabicyclo[3.1.0]hexane-6-carboxylicacid, ethyl ester, (1a,5a,6a)-
Synonyms:ETHYL 3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLATE;3-Azabicyclo[3.1.0]hexane-6-carboxylicacid,ethylester,(1alpha,5alpha,6alpha)-(9CI);cis-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate;Ethyl cis-3-azabicyclo[3.1.0]hexane-6-carboxylate
CAS:174456-77-0
Molecular Formula: C8H13 N O2
Molecular Weight: 155.19
InChI: InChI=1/C8H13NO2/c1-2-11-8(10)7-5-3-9-4-6(5)7/h5-7,9H,2-4H2,1H3
Molecular Structure: (C8H13NO2) ETHYL 3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLATE;3-Azabicyclo[3.1.0]hexane-6-carboxylicacid,ethylester,...
Properties
Flash Point: 82.4°C
Boiling Point: 212.6°Cat760mmHg
Density:1.127g/cm3
Refractive index:1.493
Specification:

The Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate with the cas number 174456-77-0, is also called 3-azabicyclo[3.1.0]hexane-6-carboxylic acid, ethyl ester, (1R,5S)-. The systematic name is ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate. Its molecular formula is C8H13NO2.

The properties of the chemical are: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 38.33Å2; (5)Index of Refraction: 1.493; (6)Molar Refractivity: 40.04 cm3; (7)Molar Volume: 137.6 cm3; (8)Polarizability: 15.87×10-24cm3; (9)Surface Tension: 36.8 dyne/cm; (10)Enthalpy of Vaporization: 44.89 kJ/mol; (11)Vapour Pressure: 0.172 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C1[C@@H]2CNC[C@H]12
(2)InChI: InChI=1/C8H13NO2/c1-2-11-8(10)7-5-3-9-4-6(5)7/h5-7,9H,2-4H2,1H3/t5-,6+,7?

Flash Point: 82.4°C
Safety Data
 

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