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34770-60-0

Basic Information
CAS No.: 34770-60-0
Name: 1-Methyl-3-oxopiperazine
Molecular Structure:
Molecular Structure of 34770-60-0 (1-Methyl-3-oxopiperazine)
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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Specification

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