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75349-23-4

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Basic Information
CAS No.: 75349-23-4
Name: (3-METHYL-PIPERAZIN-1-YL)-PHENYL-METHANONE
Article Data: 7
Molecular Structure:
Molecular Structure of 75349-23-4 ((3-METHYL-PIPERAZIN-1-YL)-PHENYL-METHANONE)
Formula: C12H16N2O
Molecular Weight: 204.272
Synonyms: Piperazine,1-benzoyl-3-methyl- (9CI);Piperazine, 1-benzoyl-3-methyl-, (?à)-;1-Benzoyl-3-methylpiperazine;3-Methyl-1-(phenylcarbonyl)piperazine;
Density: 1.072 g/cm3
Boiling Point: 345.326 °C at 760 mmHg
Flash Point: 162.648 °C
PSA: 32.34000
LogP: 1.38720
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Specification

The CAS registry number of Methanone,(3-methyl-1-piperazinyl)phenyl- is 75349-23-4. The systematic name is 3-methyl-1-(phenylcarbonyl)piperazine. In addition, the molecular formula is C12H16N2O and the molecular weight is 204.27. It should be stored in a cool and dry place.

Physical properties about Methanone,(3-methyl-1-piperazinyl)phenyl- are: (1)ACD/LogP: 0.56 ; (2)ACD/LogD (pH 5.5): -2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 19; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 32.34 Å2; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 59.715 cm3; (13)Molar Volume: 190.556 cm3; (14)Polarizability: 23.673 ×10-24cm3; (15)Surface Tension: 37.721 dyne/cm; (16)Density: 1.072 g/cm3; (17)Flash Point: 162.648 °C; (18)Enthalpy of Vaporization: 58.938 kJ/mol; (19)Boiling Point: 345.326 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CC(NCC1)C)c2ccccc2
(2)InChI: InChI=1/C12H16N2O/c1-10-9-14(8-7-13-10)12(15)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
(3)InChIKey: BCXBBYDLRSJZTE-UHFFFAOYAD