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| CAS No.: | 19065-49-7 |
|---|---|
| Name: | 1-Methylazepan-4-ol |
| Molecular Structure: | |
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| Formula: | C7H15NO |
| Molecular Weight: | 129.202 |
| Synonyms: | Azepin-4-ol,hexahydro-1-methyl- (7CI);1-Methylperhydroazepin-4-ol;4-Hydroxy-1-methylhexahydroazepine; |
| Density: | 0.977 g/cm3 |
| Boiling Point: | 205°C |
| Flash Point: | 76°C |
| PSA: | 23.47000 |
| LogP: | 0.40090 |
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Specification
The 1-Methylazepan-4-ol, with cas registry number 19065-49-7, has the systematic name of 1-methylazepan-4-ol. And it is also called 1H-azepin-4-ol, hexahydro-1-methyl-. And the chemical formula of this chemical is C7H15NO.
Physical properties about this chemical are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.47 Å2; (11)Index of Refraction: 1.48; (12)Molar Refractivity: 37.535 cm3; (13)Molar Volume: 132.234 cm3; (14)Polarizability: 14.88×10-24cm3; (15)Surface Tension: 35.187 dyne/cm; (16)Enthalpy of Vaporization: 51.307 kJ/mol; (17)Vapour Pressure: 0.062 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCCN(C)CC1
(2)InChI: InChI=1/C7H15NO/c1-8-5-2-3-7(9)4-6-8/h7,9H,2-6H2,1H3
(3)InChIKey: GLXOHWLGZMRLRM-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H15NO/c1-8-5-2-3-7(9)4-6-8/h7,9H,2-6H2,1H3
(5)Std. InChIKey: GLXOHWLGZMRLRM-UHFFFAOYSA-N