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CAS No.: | 34770-60-0 |
---|---|
Name: | 1-Methyl-3-oxopiperazine |
Molecular Structure: | |
Formula: | C5H10N2O |
Molecular Weight: | 114.147 |
Synonyms: | Piperazinone,4-methyl- (9CI);1-Methylpiperazin-3-one;4-Methylpiperazin-2-one;N-Methylpiperazinone; |
Density: | 1.037 g/cm3 |
Melting Point: | 84-90℃ |
Boiling Point: | 261.3 °C at 760 mmHg |
Flash Point: | 111.8 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38-43 |
Safety: | 26-36/37 |
PSA: | 32.34000 |
LogP: | -0.68530 |
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The CAS registry number of 2-Piperazinone,4-methyl- is 34770-60-0. The IUPAC name is 4-methylpiperazin-2-one. In addition, the molecular formula is C5H10N2O and the molecular weight is 114.15. It belongs to the class of Ketone.
Physical properties about 2-Piperazinone,4-methyl- are: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2.35; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 32.34 Å2; (10)Index of Refraction: 1.461; (11)Molar Refractivity: 30.2 cm3; (12)Molar Volume: 110 cm3; (13)Polarizability: 11.97 ×10-24cm3; (14)Surface Tension: 31.3 dyne/cm; (15)Density: 1.037 g/cm3; (16)Flash Point: 111.8 °C; (17)Enthalpy of Vaporization: 49.9 kJ/mol; (18)Boiling Point: 261.3 °C at 760 mmHg; (19)Vapour Pressure: 0.0117 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CN(C)CCN1
(2)InChI: InChI=1/C5H10N2O/c1-7-3-2-6-5(8)4-7/h2-4H2,1H3,(H,6,8)
(3)InChIKey: KVIZTDNKHOCNAM-UHFFFAOYAQ