Propanedioic acid,2-[[(carboxymethyl)amino]methylene]-, 1,3-diethyl ester supplier

Name
DIETHYL (CARBOXYMETHYLAMINO)METHYLENEMALONATE
EINECS
CAS No. 54132-81-9
Article Data5
CAS DataBase
Density 1.252 g/cm³
Solubility
Melting Point 145-147℃ (water )
Formula C₁₀H₁₅NO₆
Boiling Point 312.17 °C at 760 mmHg
Molecular Weight 245.23
Flash Point 142.596 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propanedioicacid, [[(carboxymethyl)amino]methylene]-, 1,3-diethyl ester (9CI);[[(Carboxymethyl)amino]methylene]propanedioicacid 1,3-diethyl ester;
PSA 101.93000
LogP 0.06160

Propanedioic acid,2-[[(carboxymethyl)amino]methylene]-, 1,3-diethyl ester Specification

The Propanedioic acid,2-[[(carboxymethyl)amino]methylene]-, 1,3-diethyl ester, with the CAS registry number 54132-81-9, is also known as Diethyl (carboxymethylamino)methylenemalonate. It belongs to the product categories of Aliphatics; Esters. This chemical's molecular formula is C₁₀H₁₅NO₆ and molecular weight is 245.23. Its systematic name is called (3-ethoxy-2-ethoxycarbonyl-3-oxo-prop-1-enyl)-methyl-carbamic acid.

Physical properties of Propanedioic acid,2-[[(carboxymethyl)amino]methylene]-, 1,3-diethyl ester: (1)ACD/LogP: 0.75; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 7; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 7; (9)Index of Refraction: 1.495; (10)Molar Refractivity: 57.114 cm³; (11)Molar Volume: 195.862 cm³; (12)Surface Tension: 46.093 dyne/cm; (13)Density: 1.252 g/cm³; (14)Flash Point: 142.596 °C; (15)Enthalpy of Vaporization: 60.828 kJ/mol; (16)Boiling Point: 312.17 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C(=CN(C)C(=O)O)C(=O)OCC
(2)InChI: InChI=1/C10H15NO6/c1-4-16-8(12)7(9(13)17-5-2)6-11(3)10(14)15/h6H,4-5H2,1-3H3,(H,14,15)
(3)InChIKey: CAVDDFQKBHABNW-UHFFFAOYAV

Product Name

DIETHYL (CARBOXYMETHYLAMINO)METHYLENEMALONATE

Propanedioic acid,2-[[(carboxymethyl)amino]methylene]-, 1,3-diethyl ester Specification

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