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CAS No.: | 6850-39-1 |
---|---|
Name: | 3-Aminocyclohexanol |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C6H13NO |
Molecular Weight: | 115.175 |
Synonyms: | (3-Hydroxycyclohexyl)amine;3-Aminocyclohexanol; |
Density: | 1.037 g/cm3 |
Melting Point: | 64-69°C |
Boiling Point: | 201.1 °C at 760 mmHg |
Flash Point: | 75.4 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 46.25000 |
LogP: | 0.94890 |
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