Dimethyl 2-(pyrimidin-4-yl)malonate supplier

Name
Dimethyl 2-(pyrimidin-4-yl)malonate
EINECS
CAS No. 86761-91-3
Density 1.267 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂O₄
Boiling Point 295.694 °C at 760 mmHg
Molecular Weight 210.188
Flash Point 132.631 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propanedioicacid, 4-pyrimidinyl-, dimethyl ester (9CI);
PSA 78.38000
LogP -0.09380

Dimethyl 2-(pyrimidin-4-yl)malonate Specification

The Dimethyl 2-(pyrimidin-4-yl)malonate, with the CAS registry number of 86761-91-3, is also known as Propanedioicacid, 4-pyrimidinyl-, dimethyl ester. This chemical's molecular formula is C₉H₁₀N₂O₄ and molecular weight is 210.188.

Physical properties about Dimethyl 2-(pyrimidin-4-yl)malonate are: (1) # of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 23.723; (5)ACD/KOC (pH 7.4): 23.729; (6)#H bond acceptors: 6; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 78.38 Å²; (10)Index of Refraction: 1.508; (11)Molar Refractivity: 49.436 cm³; (12)Molar Volume: 165.931 cm³; (13)Surface Tension: 49.283 dyne/cm; (14)Density: 1.267 g/cm³; (15)Flash Point: 132.631 °C; (16)Enthalpy of Vaporization: 53.542 kJ/mol; (17)Boiling Point: 295.694 °C at 760 mmHg; (18)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)C(c1ccncn1)C(=O)OC
(2) InChI: InChI=1/C9H10N2O4/c1-14-8(12)7(9(13)15-2)6-3-4-10-5-11-6/h3-5,7H,1-2H3
(3) InChIKey: NGCATIQVQXWDHK-UHFFFAOYAD

Product Name

Dimethyl 2-(pyrimidin-4-yl)malonate

Dimethyl 2-(pyrimidin-4-yl)malonate Specification

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