Product Name

  • Name

    N-ACETYL-D-ASPARTIC ACID

  • EINECS
  • CAS No. 128574-89-0
  • Density 1.422 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H9NO5
  • Boiling Point 425.3 °C at 760 mmHg
  • Molecular Weight 175.13936
  • Flash Point 211 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 128574-89-0 (N-ACETYL-D-ASPARTIC ACID)
  • Hazard Symbols
  • Synonyms N-Acetyl-D-asparticacid;
  • PSA 107.19000
  • LogP -0.10930

N-Acetyl-D-aspartic acid Specification

The N-Acetyl-D-aspartic acid with the CAS number 128574-89-0 is also called D-Aspartic acid,N-acetyl-. Its molecular formula is C6H9NO5. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: -1.06; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 72.91 Å2; (7)Index of Refraction: 1.505; (8)Molar Refractivity: 36.55 cm3; (9)Molar Volume: 123.1 cm3; (10)Polarizability: 14.49×10-24cm3; (11)Surface Tension: 61.5 dyne/cm; (12)Enthalpy of Vaporization: 74.57 kJ/mol; (13)Vapour Pressure: 2×10-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@@H](C(=O)O)CC(=O)O)C
(2)InChI: InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m1/s1
(3)InChIKey: OTCCIMWXFLJLIA-SCSAIBSYBB

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