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Cas Database

Name	Hexahydro-1-methyl-4H-azepin-4-one	EINECS	N/A
CAS No.	1859-33-2	Density	0.965 /cm³
PSA	20.31000	LogP	0.60910
Solubility	N/A	Melting Point	N/A
Formula	C₇H₁₃NO	Boiling Point	196.443 °C at 760 mmHg
Molecular Weight	127.186	Flash Point	67.167 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	1-Methylhexahydro-4H-azepin-4-one;1-Methylazepan-4-one;N-Methyl-hexahydro-4H-azepin-4-one;	Article Data	1

Hexahydro-1-methyl-4H-azepin-4-one 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

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