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108267-20-5

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Basic Information
CAS No.: 108267-20-5
Name: (1S,2R)-2-Aminocyclohexanol
Article Data: 86
Molecular Structure:
Molecular Structure of 108267-20-5 ((1S,2R)-2-Aminocyclohexanol)
Formula: C6H13NO
Molecular Weight: 115.175
Synonyms: cis-2-Aminocyclohexanol;
Density: 1.037 g/cm3
Melting Point: 69 - 70 °C
Boiling Point: 201.1 °C at 760 mmHg
Flash Point: 75.4 °C
PSA: 46.25000
LogP: 0.94890
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Specification

The (1S,2R)-2-Aminocyclohexanol, with the CAS registry number of 108267-20-5, is also known as cis-2-Aminocyclohexanol. This chemical's molecular formula is C6H13NO and molecular weight is 115.175.

Physical properties about the (1S,2R)-2-Aminocyclohexanol are: (1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.25; (4)ACD/LogD (pH 7.4): -2.78; (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: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 32.81 cm3; (15)Molar Volume: 111 cm3; (16)Surface Tension: 38.6 dyne/cm; (17)Density: 1.037 g/cm3; (18)Flash Point: 75.4 °C; (19)Enthalpy of Vaporization: 50.88 kJ/mol; (20)Boiling Point: 201.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0773 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@H]1CCCC[C@H]1N
(2) InChI: InChI=1/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2/t5-,6+/m1/s1
(3) InChIKey: PQMCFTMVQORYJC-RITPCOANBY