Benzyl 3,4-dihydro-2-methyl-4-oxopyridine-1(2H)-carboxylate supplier

Name
benzyl 3,4-dihydro-2-methyl-4-oxopyridine-1(2H)-carboxylate
EINECS
CAS No. 190906-91-3
Density 1.193 g/cm³
Solubility
Melting Point 52-54°C
Formula C₁₄H₁₅NO₃
Boiling Point 385.746 °C at 760 mmHg
Molecular Weight 245.278
Flash Point 187.093 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzyl 3,4-dihydro-2-methyl-4-oxopyridine-1(2H)-carboxylate;Benzyl 2-methyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate;
PSA 46.61000
LogP 2.43810

Benzyl 3,4-dihydro-2-methyl-4-oxopyridine-1(2H)-carboxylate Specification

The Benzyl 3,4-dihydro-2-methyl-4-oxopyridine-1(2H)-carboxylate with the cas number 190906-91-3 is also called 1(2H)-Pyridinecarboxylicacid, 3,4-dihydro-2-methyl-4-oxo-, phenylmethyl ester. The systematic name is benzyl 2-methyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate. Its molecular formula is C₁₄H₁₅NO₃.

The properties of the chemical are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 164; (8)ACD/KOC (pH 7.4): 164; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 66.505 cm³; (15)Molar Volume: 205.613 cm³; (16)Polarizability: 26.365×10^-24cm³; (17)Surface Tension: 46.612 dyne/cm; (18)Enthalpy of Vaporization: 63.459 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2/C=C\C(=O)CC2C
(2)InChI: InChI=1/C14H15NO3/c1-11-9-13(16)7-8-15(11)14(17)18-10-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
(3)InChIKey: CZZXYDLQRNIZGZ-UHFFFAOYAC

Product Name

benzyl 3,4-dihydro-2-methyl-4-oxopyridine-1(2H)-carboxylate

Benzyl 3,4-dihydro-2-methyl-4-oxopyridine-1(2H)-carboxylate Specification

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