Cyclohexanecarboxylicacid, 4-(aminomethyl)-

The CAS register number of Cyclohexanecarboxylicacid, 4-(aminomethyl)- is 701-54-2. In addition, the molecular formula is C₈H₁₅NO₂ and the molecular weight is 157.21. The systematic name is 4-(aminomethyl)cyclohexanecarboxylic acid. It is a kind of Drug/Therapeutic Agent. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about Cyclohexanecarboxylicacid, 4-(aminomethyl)- are: (1)ACD/LogP: 0.32; (2)ACD/LogD (pH 5.5): -2.25; (3)ACD/LogD (pH 7.4): -2.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.497; (13)Molar Refractivity: 42 cm³; (14)Molar Volume: 143.4 cm³; (15)Polarizability: 16.65 ×10^-24cm³; (16)Surface Tension: 43.6 dyne/cm; (17)Density: 1.095 g/cm³; (18)Flash Point: 135.4 °C; (19)Enthalpy of Vaporization: 59.43 kJ/mol; (20)Boiling Point: 300.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000268 mmHg at 25°C.

Uses of Cyclohexanecarboxylicacid, 4-(aminomethyl)-: it can be used to produce 4-aminomethyl-cyclohexanecarboxylic acid methyl ester with methanol. This reaction will need reagent HCl. The reaction time is 5 hours by heating. The yield is about 96%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1CCC(CN)CC1
(2)InChI: InChI=1/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)
(3)InChIKey: GYDJEQRTZSCIOI-UHFFFAOYAS

The toxicity data is as follows: