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

Name
1-METHYLAZEPAN-4-ONE
EINECS
CAS No. 1859-33-2
Article Data1
CAS DataBase
Density 0.965 /cm³
Solubility
Melting Point
Formula C₇H₁₃NO
Boiling Point 196.443 °C at 760 mmHg
Molecular Weight 127.186
Flash Point 67.167 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methylhexahydro-4H-azepin-4-one;1-Methylazepan-4-one;N-Methyl-hexahydro-4H-azepin-4-one;
PSA 20.31000
LogP 0.60910

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

Product Name

1-METHYLAZEPAN-4-ONE

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

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