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CAS No.: | 5441-40-7 |
---|---|
Name: | 2,5-Diaza-5-methylcycloheptanone |
Article Data: | 4 |
Molecular Structure: | |
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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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
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- .