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(1R,2S)-2-azaniumylcyclohexane-1-carboxylate

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Name

(1R,2S)-2-azaniumylcyclohexane-1-carboxylate

EINECS N/A
CAS No. 5691-20-3 Density 1.133g/cm3
PSA 63.32000 LogP 1.28880
Solubility N/A Melting Point ~240 °C (dec.)
Formula C7H13NO2 Boiling Point 280 °C at 760 mmHg
Molecular Weight 143.186 Flash Point 123.1 °C
Transport Information N/A Appearance almost white to light beige crystalline powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 5691-20-3 (CIS-2-AMINO-1-CYCLOHEXANECARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

C-ddG;Carbocyclic-2',3'-dideoxyguanosine;2-aminocyclohexanecarboxylic acid;

Article Data 18

(1R,2S)-2-azaniumylcyclohexane-1-carboxylate 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

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