2-Azabicyclo[2.2.1]heptane-2-propanoicacid (933735-39-8)

The 2-Azabicyclo[2.2.1]heptane-2-propanoic acid, with the CAS registry number 933735-39-8, has the systematic name of 3-(6-azabicyclo[2.2.1]heptan-6-yl)propanoic acid. It should be stored at dry and cool environment. And the molecular formula of the chemical is C₉H₁₅NO₂.

The characteristics of 2-Azabicyclo[2.2.1]heptane-2-propanoic acid are as followings: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 40.54 Å²; (7)Index of Refraction: 1.53; (8)Molar Refractivity: 44.81 cm³; (9)Molar Volume: 144.9 cm³; (10)Polarizability: 17.76×10^-24cm³; (11)Surface Tension: 45.1 dyne/cm; (12)Density: 1.167 g/cm³; (13)Flash Point: 136.7 °C; (14)Enthalpy of Vaporization: 59.69 kJ/mol; (15)Boiling Point: 302.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000229 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C1CC2CC1CN2CCC(=O)O
(2)InChI: InChI=1/C9H15NO2/c11-9(12)3-4-10-6-7-1-2-8(10)5-7/h7-8H,1-6H2,(H,11,12)
(3)InChIKey: LHRODJLGQBVMHT-UHFFFAOYAB