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

Name
CIS-2-AMINO-1-CYCLOHEXANECARBOXYLIC ACID
EINECS
CAS No. 5691-20-3
Article Data18
CAS DataBase
Density 1.133g/cm³
Solubility
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
Appearance almost white to light beige crystalline powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms C-ddG;Carbocyclic-2',3'-dideoxyguanosine;2-aminocyclohexanecarboxylic acid;
PSA 63.32000
LogP 1.28880

(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

Product Name

CIS-2-AMINO-1-CYCLOHEXANECARBOXYLIC ACID

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

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