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| CAS No.: | 1859-33-2 |
|---|---|
| Name: | 1-METHYLAZEPAN-4-ONE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H13NO |
| Molecular Weight: | 127.186 |
| Synonyms: | 1-Methylhexahydro-4H-azepin-4-one;1-Methylazepan-4-one;N-Methyl-hexahydro-4H-azepin-4-one; |
| Density: | 0.965 /cm3 |
| Boiling Point: | 196.443 °C at 760 mmHg |
| Flash Point: | 67.167 °C |
| PSA: | 20.31000 |
| LogP: | 0.60910 |
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Specification
The CAS register number of Hexahydro-1-methyl-4H-azepin-4-one is 1859-33-2. It also can be called as 1-Methylhexahydro-4H-azepin-4-one and the systematic name about this chemical is 1-methylazepan-4-one.
Physical properties about Hexahydro-1-methyl-4H-azepin-4-one are: (1)ACD/LogP: 0.04; (2)#H bond acceptors: 2; (3)Polar Surface Area: 20.31Å2; (4)Index of Refraction: 1.459; (5)Molar Refractivity: 36.07 cm3; (6)Molar Volume: 131.7 cm3; (7)Polarizability: 14.3x10-24cm3; (8)Surface Tension: 31.5 dyne/cm; (9)Flash Point: 67.2 °C; (10)Enthalpy of Vaporization: 43.26 kJ/mol; (11)Boiling Point: 196.4 °C at 760 mmHg; (12)Vapour Pressure: 0.398 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCN(C)CCC1
(2)InChI: InChI=1/C7H13NO/c1-8-5-2-3-7(9)4-6-8/h2-6H2,1H3
(3)InChIKey: HXCVYSRFFKEHEA-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H13NO/c1-8-5-2-3-7(9)4-6-8/h2-6H2,1H3
(5)Std. InChIKey: HXCVYSRFFKEHEA-UHFFFAOYSA-N