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| CAS No.: | 3685-25-4 |
|---|---|
| Name: | TRANS-4-AMINOCYCLOHEXANECARBOXYLIC ACID |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C7H13NO2 |
| Molecular Weight: | 143.186 |
| Synonyms: | 4-Aminocyclohexanecarboxylic acid;4-Amino cyclohexane-l-carboxylic acid;Cyclohexanecarboxylic acid, 4-amino-; |
| Density: | 1.133 g/cm3 |
| Melting Point: | 495 °C |
| Boiling Point: | 280 °C at 760 mmHg |
| Flash Point: | 123.1 °C |
| Solubility: | Soluble in water |
| Safety: | 24/25 |
| PSA: | 63.32000 |
| LogP: | 1.28880 |
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Specification
The Cyclohexanecarboxylicacid, 4-amino-, trans-, with the CAS registry number 3685-25-4, has the systematic name of 4-aminocyclohexanecarboxylic acid. It is a kind of irritant chemical, and belongs to the following product categories: 4-Substituted Cyclohexanecarboxylic Acids. And the molecular formula of the chemical is C7H13NO2.
The characteristics of Cyclohexanecarboxylicacid, 4-amino-, trans- are as followings: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.42; (4)ACD/LogD (pH 7.4): -2.38; (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.
Uses of Cyclohexanecarboxylicacid, 4-amino-, trans-: It can react with methanol to produce 4-Amino-cyclohexan-carbonsaeure-methylester. This reaction will need reagent conc. sulfuric acid. The reaction time is 48 hours with heating, and the yield is about 90%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C1CCC(N)CC1
(2)InChI: InChI=1/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)
(3)InChIKey: DRNGLYHKYPNTEA-UHFFFAOYAX