3-Aminocyclohexanecarboxylic acid

The IUPAC name of 3-Aminocyclohexanecarboxylic acid is (1R,3S)-3-aminocyclohexane-1-carboxylic acid. With the CAS registry number 25912-50-9, it is also named as Cyclohexanecarboxylicacid, 3-amino-. The product's category is Amino Acids and Derivatives. In addition, its molecular formula is C₇H₁₃NO₂ and molecular weight is 143.18.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.43; (4)ACD/LogD (pH 7.4): -2.42; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 37.33 cm³; (15)Molar Volume: 126.2 cm³; (16)Polarizability: 14.79×10^-24cm³; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.133 g/cm³; (19)Flash Point: 123.1 °C; (20)Enthalpy of Vaporization: 57.08 kJ/mol; (21)Boiling Point: 280 °C at 760 mmHg; (22)Vapour Pressure: 0.00103 mmHg at 25 °C.

Preparation of 3-Aminocyclohexanecarboxylic acid: this chemical can be prepared by 3-azido-cyclohexanecarboxylic acid.



This reaction needs H₂N-NMe₂, FeCl₃^.6H₂O and methanol at ambient temperature. The reaction time is 2 hours. The yield is 76 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C1CC(N)CCC1
(2)InChI: InChI=1/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)
(3)InChIKey: CKTUXQBZPWBFDX-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)
(5)Std. InChIKey: CKTUXQBZPWBFDX-UHFFFAOYSA-N