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| CAS No.: | 933735-39-8 |
|---|---|
| Name: | 3-(2-Azabicyclo[2.2.1]heptan-2-yl)propanoic acid |
| Molecular Structure: | |
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| Formula: | C9H15NO2 |
| Molecular Weight: | 169.224 |
| Synonyms: | 3-(2-Azabicyclo[2.2.1]hept-2-yl)propionicacid;2-azabicyclo[2.2.1]heptane-2-propanoic acid;3-(2-Azabicyclo[2.2.1]hept-2-yl)propanoic acid; |
| Density: | 1.167 g/cm3 |
| Boiling Point: | 302.5 °C at 760 mmHg |
| Flash Point: | 136.7 °C |
| PSA: | 40.54000 |
| LogP: | 0.88330 |
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Specification
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