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Dimethyl 2-aminomalonate

  • Name Dimethyl 2-aminomalonate
  • EINECSN/A
  • CAS No. 53704-09-9
  • Density1.205 g/cm3
  • PSA78.62000
  • LogP-0.64000
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC5H9NO4
  • Boiling Point155.7 °C at 760 mmHg
  • Molecular Weight147.131
  • Flash Point33.2 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 53704-09-9 (DIMETHYL 2-AMINOMALONATE, TECH)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data8

Dimethyl 2-aminomalonate Specification

The CAS registry number of Dimethyl 2-aminomalonate is 53704-09-9. It belongs to the product categories of Aliphatics; Esters. This chemical is also named as Dimethyl 2-aminopropane-1,3-dioate. In addition, its molecular formula is C5H9NO4 and molecular weight is 147.12926. Its systematic name is called dimethyl aminopropanedioate.

Physical properties about Dimethyl 2-aminomalonate are: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Index of Refraction: 1.441; (7)Molar Refractivity: 32.25 cm3; (8)Molar Volume: 122 cm3; (9)Surface Tension: 39.9 dyne/cm; (10)Density: 1.205 g/cm3; (11)Flash Point: 33.2 °C; (12)Enthalpy of Vaporization: 39.24 kJ/mol; (13)Boiling Point: 155.7 °C at 760 mmHg; (14)Vapour Pressure: 3 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C(N)C(=O)OC
(2)InChI: InChI=1/C5H9NO4/c1-9-4(7)3(6)5(8)10-2/h3H,6H2,1-2H3
(3)InChIKey: MHDFJESNGMDHQD-UHFFFAOYAX

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