Methanone,(3-methylphenyl)-1-piperazinyl- supplier

Name
1-(3-METHYL-BENZOYL)-PIPERAZINE
EINECS
CAS No. 100939-91-1
Article Data4
CAS DataBase
Density 1.093 g/cm³
Solubility
Melting Point 74-76 °C
Formula C₁₂H₁₆N₂O
Boiling Point 370.5 °C at 760 mmHg
Molecular Weight 204.272
Flash Point 177.9 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms Piperazine,1-(3-methylbenzoyl)- (9CI);1-(3-Methylbenzoyl)piperazine;1-[(3-Methylphenyl)carbonyl]piperazine;(3-Methylphenyl)-piperazin-1-ylmethanone;
PSA 32.34000
LogP 1.30710

Methanone,(3-methylphenyl)-1-piperazinyl- Specification

The CAS registry number of Methanone,(3-methylphenyl)-1-piperazinyl- is 100939-91-1. The IUPAC name is (3-methylphenyl)-piperazin-1-ylmethanone. In addition, the molecular formula is C₁₂H₁₆N₂O and the molecular weight is 204.27. It belongs the class of piperazines and should be stored in a cool and dry place.

Physical properties about Methanone,(3-methylphenyl)-1-piperazinyl- are: (1)ACD/LogP: 0.32; (2)ACD/LogD (pH 5.5): -1.51; (3)ACD/LogD (pH 7.4): 0.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 18.84; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 23.55 Å²; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 59.83 cm³; (14)Molar Volume: 186.8 cm³; (15)Polarizability: 23.71 ×10^-24cm³; (16)Surface Tension: 40.8 dyne/cm; (17)Density: 1.093 g/cm³; (18)Flash Point: 177.9 °C; (19)Enthalpy of Vaporization: 61.75 kJ/mol; (20)Boiling Point: 370.5 °C at 760 mmHg; (21)Vapour Pressure: 1.1E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cccc(c1)C)N2CCNCC2
(2)InChI: InChI=1/C12H16N2O/c1-10-3-2-4-11(9-10)12(15)14-7-5-13-6-8-14/h2-4,9,13H,5-8H2,1H3
(3)InChIKey: YHGUVIUZDTUVKZ-UHFFFAOYAC

Product Name

1-(3-METHYL-BENZOYL)-PIPERAZINE

Methanone,(3-methylphenyl)-1-piperazinyl- Specification

Related Products

Hot Products