2,4(1H,3H)-Pyrimidinedione,1,3-diethyl-5-methyl- supplier

Name
1,3-DIETHYLTHYMINE
EINECS
CAS No. 21472-93-5
Article Data6
CAS DataBase
Density 1.084 g/cm³
Solubility
Melting Point
Formula C₉H₁₄N₂O₂
Boiling Point 258.979 °C at 760 mmHg
Molecular Weight 182.222
Flash Point 101.418 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thymine,1,3-diethyl- (8CI);1,3-Diethylthymine;
PSA 44.00000
LogP 0.35820

2,4(1H,3H)-Pyrimidinedione,1,3-diethyl-5-methyl- Specification

The 2,4(1H,3H)-Pyrimidinedione,1,3-diethyl-5-methyl-, also known as 1,3-Diethylthymine, is an organic compound with the formula C₉H₁₄N₂O₂. With the CAS registry number 21472-93-5, its systematic name is 1,3-diethyl-5-methylpyrimidine-2,4(1H,3H)-dione.

Physical properties of 2,4(1H,3H)-Pyrimidinedione,1,3-diethyl-5-methyl-: (1)ACD/LogP: 0.92; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 21; (5)ACD/BCF (pH 7.4): 21; (6)ACD/KOC (pH 5.5): 310; (7)ACD/KOC (pH 7.4): 310; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.493; (11)Molar Refractivity: 48.802 cm³; (12)Molar Volume: 167.996 cm³; (13)Surface Tension: 34.707 dyne/cm; (14)Density: 1.085 g/cm³; (15)Flash Point: 101.418 °C; (16)Enthalpy of Vaporization: 49.66 kJ/mol; (17)Boiling Point: 258.979 °C at 760 mmHg; (18)Vapour Pressure: 0.013 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(CC)C(=O)C(\C)=C/N1CC
(2)InChI: InChI=1/C9H14N2O2/c1-4-10-6-7(3)8(12)11(5-2)9(10)13/h6H,4-5H2,1-3H3
(3)InChIKey: UZYUKPJXAMAIRU-UHFFFAOYAQ

Product Name

1,3-DIETHYLTHYMINE

2,4(1H,3H)-Pyrimidinedione,1,3-diethyl-5-methyl- Specification

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