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| CAS No.: | 5691-20-3 |
|---|---|
| Name: | CIS-2-AMINO-1-CYCLOHEXANECARBOXYLIC ACID |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C7H13NO2 |
| Molecular Weight: | 143.186 |
| Synonyms: | C-ddG;Carbocyclic-2',3'-dideoxyguanosine;2-aminocyclohexanecarboxylic acid; |
| Density: | 1.133g/cm3 |
| Melting Point: | ~240 °C (dec.) |
| Boiling Point: | 280 °C at 760 mmHg |
| Flash Point: | 123.1 °C |
| Appearance: | almost white to light beige crystalline powder |
| Safety: | 22-24/25 |
| PSA: | 63.32000 |
| LogP: | 1.28880 |
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- Total:18 Page 1 of 1 1
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Specification
The (1R,2S)-2-azaniumylcyclohexane-1-carboxylate, with CAS registry number 5691-20-3, has the systematic name of (1R,2S)-2-aminocyclohexanecarboxylic acid. This chemical is a kind of almost white to light beige crystalline powder. When use this chemical, do not breathe dust and avoid contact with skin and eyes. And the chemical formula of this chemical is C7H13NO2.
Physical properties of (1R,2S)-2-azaniumylcyclohexane-1-carboxylate: (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: 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.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H]1CCCC[C@@H]1N
(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+/m1/s1
(3)InChIKey: USQHEVWOPJDAAX-RITPCOANBA
(4)Std. InChI: InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/m1/s1
(5)Std. InChIKey: USQHEVWOPJDAAX-RITPCOANSA-N