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3-Aminocyclohexanol

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Name

3-Aminocyclohexanol

EINECS N/A
CAS No. 6850-39-1 Density 1.037 g/cm3
PSA 46.25000 LogP 0.94890
Solubility N/A Melting Point 64-69°C
Formula C6H13NO Boiling Point 201.1 °C at 760 mmHg
Molecular Weight 115.175 Flash Point 75.4 °C
Transport Information N/A Appearance N/A
Safety 26-39 Risk Codes 22-37/38-41
Molecular Structure Molecular Structure of 6850-39-1 (3-Aminocyclohexanol) Hazard Symbols Xn
Synonyms

(3-Hydroxycyclohexyl)amine;3-Aminocyclohexanol;

Article Data 11

3-Aminocyclohexanol Specification

The CAS register number of 3-Aminocyclohexanol is 6850-39-1. It also can be called as Cyclohexanol, 3-amino- and the IUPAC name about this chemical is 3-aminocyclohexan-1-ol. The molecular formula about this chemical is C6H13NO and the molecular weight is 115.17. It belongs to the Pharmacetical.

Physical properties about 3-Aminocyclohexanol are: (1)ACD/LogP: -0.35; (2)ACD/LogD (pH 5.5): -3.44; (3)ACD/LogD (pH 7.4): -3.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.47Å2; (12)Index of Refraction: 1.502; (13)Molar Refractivity: 32.81 cm3; (14)Molar Volume: 111 cm3; (15)Polarizability: 13x10-24cm3; (16)Surface Tension: 38.6 dyne/cm; (17)Flash Point: 75.4 °C; (18)Enthalpy of Vaporization: 50.88 kJ/mol; (19)Boiling Point: 201.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0773 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCCC(N)C1
(2)InChI: InChI=1/C6H13NO/c7-5-2-1-3-6(8)4-5/h5-6,8H,1-4,7H2
(3)InChIKey: NIQIPYGXPZUDDP-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H13NO/c7-5-2-1-3-6(8)4-5/h5-6,8H,1-4,7H2
(5)Std. InChIKey: NIQIPYGXPZUDDP-UHFFFAOYSA-N

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