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Cyclohexanol,1-(aminomethyl)-

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Name

Cyclohexanol,1-(aminomethyl)-

EINECS 223-648-8
CAS No. 4000-72-0 Density 1.02 g/cm3
PSA 46.25000 LogP 1.34060
Solubility N/A Melting Point 122-123℃
Formula C7H15NO Boiling Point 219.5 °C at 760 mmHg
Molecular Weight 129.202 Flash Point 86.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4000-72-0 (1-(aminomethyl)cyclohexan-1-ol) Hazard Symbols N/A
Synonyms

1-(1-Hydroxycyclohexyl)methylamine;1-(Aminomethyl)-1-cyclohexanol;1-(Aminomethyl)cyclohexanol;

Article Data 32

Cyclohexanol,1-(aminomethyl)- Specification

The Cyclohexanol,1-(aminomethyl)- is an organic compound with the formula C7H15NO. The IUPAC name of this chemical is 1-(aminomethyl)cyclohexan-1-ol. With the CAS registry number 4000-72-0, it is also named as 1-Aminomethyl-cyclohexanol.

Physical properties about Cyclohexanol,1-(aminomethyl)- are: (1)ACD/LogP: 0.41; (2)ACD/LogD (pH 5.5): -2.69; (3)ACD/LogD (pH 7.4): -2.28; (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: 3; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.502; (13)Molar Refractivity: 37.39 cm3; (14)Molar Volume: 126.6 cm3; (15)Polarizability: 14.82×10-24cm3; (16)Surface Tension: 43.2 dyne/cm; (17)Density: 1.02 g/cm3; (18)Flash Point: 86.6 °C; (19)Enthalpy of Vaporization: 53.02 kJ/mol; (20)Boiling Point: 219.5 °C at 760 mmHg; (21)Vapour Pressure: 0.025 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC1(CN)CCCCC1
(2)InChI: InChI=1/C7H15NO/c8-6-7(9)4-2-1-3-5-7/h9H,1-6,8H2
(3)InChIKey: XUSXTHMTOSFZII-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H15NO/c8-6-7(9)4-2-1-3-5-7/h9H,1-6,8H2
(5)Std. InChIKey: XUSXTHMTOSFZII-UHFFFAOYSA-N

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