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5441-40-7

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Basic Information
CAS No.: 5441-40-7
Name: 2,5-Diaza-5-methylcycloheptanone
Article Data: 4
Molecular Structure:
Molecular Structure of 5441-40-7 (2,5-Diaza-5-methylcycloheptanone)
Formula: C6H12 N2 O
Molecular Weight: 128.174
Synonyms: NSC 135473;NSC 21318; NSC 217969
Density: 1.003g/cm3
Melting Point: 83-84 °C
Boiling Point: 274.8°Cat760mmHg
Flash Point: 120°C
PSA: 32.34000
LogP: -0.29520
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Chemistry

Molecular Structure of 1-Methyl-5-homopiperazinone (CAS No.5441-40-7):
 
Molecular Formula: C6H12N2O 
Molecular Weight: 128.1723
CAS No: 5441-40-7
IUPAC Name: 1-Methyl-1,4-diazepan-5-one 
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 32.34 Å2
Index of Refraction: 1.457
Molar Refractivity: 34.812 cm3
Molar Volume: 127.778 cm3
Surface Tension: 30.564 dyne/cm
Density: 1.003 g/cm3
Flash Point: 119.993 °C
Enthalpy of Vaporization: 51.321 kJ/mol
Boiling Point: 274.796 °C at 760 mmHg
Vapour Pressure: 0.005 mmHg at 25°C
InChI: InChI=1/C6H12N2O/c1-8-4-2-6(9)7-3-5-8/h2-5H2,1H3,(H,7,9)
InChIKey: FZYSZYWKHFCLSF-UHFFFAOYAY
Std. InChI: InChI=1S/C6H12N2O/c1-8-4-2-6(9)7-3-5-8/h2-5H2,1H3,(H,7,9)
Std. InChIKey: FZYSZYWKHFCLSF-UHFFFAOYSA-N

Specification

   1-Methyl-5-homopiperazinone (CAS No.5441-40-7), its synonyms are 2,5-Diaza-5-methylcycloheptanone ; 1-methyl-1,4-diazepan-5-one ; 5H-1,4-diazepin-5-one, hexahydro-1-methyl- .