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| CAS No.: | 2987-05-5 |
|---|---|
| Name: | 4-(METHYLAMINO)CYCLOHEXANOL |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C7H15NO |
| Molecular Weight: | 129.202 |
| Synonyms: | 4-(Methylamino)cyclohexan-1-ol; |
| Density: | 0.977 g/cm3 |
| Boiling Point: | 211.75 °C at 760 mmHg |
| Flash Point: | 86.788 °C |
| PSA: | 32.26000 |
| LogP: | 0.90020 |
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- Total:36 Page 1 of 1 1
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Specification
The Cyclohexanol, 4-(methylamino)-, with the CAS registry number 2987-05-5, is also known as 4-(Methylamino)cyclohexanol. This chemical's molecular formula is C7H15NO and molecular weight is 129.12. What's more, its IUPAC name is called 4-(Methylamino)cyclohexan-1-ol.
Physical properties about Cyclohexanol, 4-(methylamino)- are: (1)ACD/LogP: -0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (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: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 37.55 cm3; (15)Molar Volume: 132.25 cm3; (16)Surface Tension: 35.122 dyne/cm; (17)Density: 0.977 g/cm3; (18)Flash Point: 86.788 °C; (19)Enthalpy of Vaporization: 52.113 kJ/mol; (20)Boiling Point: 211.75 °C at 760 mmHg; (21)Vapour Pressure: 0.04 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC1CCC(NC)CC1
(2) InChI: InChI=1S/C7H15NO/c1-8-6-2-4-7(9)5-3-6/h6-9H,2-5H2,1H3
(3) InChIKey: OMJKFWFDNIIACS-UHFFFAOYSA-N