Methanone,(4-methylphenyl)-1-piperazinyl- supplier

Name
1-(4-METHYL-BENZOYL)-PIPERAZINE
EINECS
CAS No. 111752-26-2
Article Data10
CAS DataBase
Density 1.093 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆N₂O
Boiling Point 368.9 °C at 760 mmHg
Molecular Weight 204.272
Flash Point 176.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Piperazine,1-(4-methylbenzoyl)- (9CI);1-(4-Methylbenzoyl)piperazine;
PSA 32.34000
LogP 1.30710

Methanone,(4-methylphenyl)-1-piperazinyl- Specification

The Methanone, (4-methylphenyl)-1-piperazinyl-, with the CAS registry number 111752-26-2, is also known as 1-(4-Methyl-benzoyl)-piperazine. It belongs to the product category of Piperazines. This chemical's molecular formula is C₁₂H₁₆N₂O and molecular weight is 204.27. What's more, its IUPAC name is (4-methylphenyl)-piperazin-1-ylmethanone.

Physical properties about Methanone, (4-methylphenyl)-1-piperazinyl- are: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.32; (4)ACD/LogD (pH 7.4): 0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 22.75; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 59.83 cm³; (15)Molar Volume: 186.8 cm³; (16)Polarizability: 23.71×10^-24 cm³; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.093 g/cm³; (19)Flash Point: 176.9 °C; (20)Enthalpy of Vaporization: 61.56 kJ/mol; (21)Boiling Point: 368.9 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(cc1)C)N2CCNCC2
(2) InChI: InChI=1/C12H16N2O/c1-10-2-4-11(5-3-10)12(15)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
(3) InChIKey: TXMSANPYZMHGOE-UHFFFAOYAX

Product Name

1-(4-METHYL-BENZOYL)-PIPERAZINE

Methanone,(4-methylphenyl)-1-piperazinyl- Specification

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