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Name |
Cyclohexanecarboxylic acid, 2-amino-, (1S,2S)- |
EINECS | N/A |
CAS No. | 24716-93-6 | Density | 1.133 g/cm3 |
PSA | 63.32000 | LogP | 1.28880 |
Solubility | Soluble in water. | Melting Point |
0 °C |
Formula | C7H13NO2 | Boiling Point | 280 °C at 760 mmHg |
Molecular Weight | 143.186 | Flash Point | 123.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Cyclohexanecarboxylic acid, 2-amino-, (1S-trans)-;Cyclohexanecarboxylic acid, 2-amino-, (S,S)-(+)- (8CI);(1S,2S)-2-Aminocyclohexanecarboxylic acid;trans-(1S,2S)-2-Aminocyclohexane-1-carboxylic acid;trans-(1S,2S)-2-Aminocyclohexanecarboxylic acid; |
Article Data | 13 |
The Cyclohexanecarboxylic acid, 2-amino-, (1S,2S)-, with the CAS registry number 24716-93-6, is also known as Cyclohexanecarboxylic acid, 2-amino-, (1S-trans)- and trans-(1S,2S)-2-Aminocyclohexanecarboxylic acid. It belongs to the product categories of Carboxylic Acids (Chiral); Chiral Building Blocks; Synthetic Organic Chemistry. This chemical's molecular formula is C7H13NO2 and molecular weight is 143.1836. What's more, its systematic name is (1S,2S)-2-Ammoniocyclohexanecarboxylate.
Physical properties about Cyclohexanecarboxylic acid, 2-amino-, (1S,2S)- are: (1) ACD/LogP: 0.26; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.25; (4) ACD/LogD (pH 7.4): -2.24; (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: 37.3 Å2; (13) Index of Refraction: 1.503; (14) Molar Refractivity: 37.33 cm3; (15) Molar Volume: 126.2 cm3; (16) Polarizability: 14.79×10-24 cm3; (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.
When you are dealing with this chemical, you should be very careful. This chemical is rritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C([O-])[C@H]1CCCC[C@@H]1[NH3+]
(2) InChI: InChI=1/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1
(3) InChIKey: USQHEVWOPJDAAX-WDSKDSINBF