-
Name
1-Piperidinyl(p-tolyl)methanone
- EINECS
- CAS No. 13707-23-8
- Article Data46
- CAS DataBase
- Density 1.065 g/cm3
- Solubility
- Melting Point
- Formula C13H17NO
- Boiling Point 348.8 °C at 760 mmHg
- Molecular Weight 203.284
- Flash Point 159.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Piperidine,1-(4-methylbenzoyl)-;Piperidine,1-p-toluoyl-(8CI);1-(4-Methylbenzoyl)piperidine;1-p-Toluoylpiperidine;Piperidin-1-yl-p-tolyl-methanone;(4-Methylphenyl)(piperidin-1-yl)methanone;
- PSA 20.31000
- LogP 2.55900
Methanone,(4-methylphenyl)-1-piperidinyl- Specification
The CAS registry number of Methanone,(4-methylphenyl)-1-piperidinyl- is 13707-23-8. The IUPAC name is (4-methylphenyl)-piperidin-1-ylmethanone. In addition, the molecular formula is C13H17NO and the molecular weight is 203.28. It is also called Piperidine,1-(4-methylbenzoyl)-. What's more, it should be stored in a cool and dry place.
Physical properties about Methanone,(4-methylphenyl)-1-piperidinyl- are: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): 1.9; (3)ACD/LogD (pH 7.4): 1.9; (4)ACD/BCF (pH 5.5): 16.33; (5)ACD/BCF (pH 7.4): 16.33; (6)ACD/KOC (pH 5.5): 256.91; (7)ACD/KOC (pH 7.4): 256.91; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 20.31 Å2; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 61.09 cm3; (13)Molar Volume: 190.8 cm3; (14)Polarizability: 24.22 ×10-24cm3; (15)Surface Tension: 41.5 dyne/cm; (16)Density: 1.065 g/cm3; (17)Flash Point: 159.5 °C; (18)Enthalpy of Vaporization: 59.33 kJ/mol; (19)Boiling Point: 348.8 °C at 760 mmHg; (20)Vapour Pressure: 4.9E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)C)N2CCCCC2
(2)InChI: InChI=1/C13H17NO/c1-11-5-7-12(8-6-11)13(15)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
(3)InChIKey: JHOMIXKATLMPEJ-UHFFFAOYAY
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