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Substance Name: N-Acetylasparagine
RN: 4033-40-3
UNII: D0P42N84Z6
InChIKey: HXFOXFJUNFFYMO-BYPYZUCNSA-N

Molecular Formula

  • C6-H10-N2-O4

Molecular Weight

  • 174.155
 
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Names and Synonyms

Name of Substance

  • N-Acetylasparagine

Synonyms

  • EINECS 223-716-7
  • NSC 186895
  • UNII-D0P42N84Z6

Systematic Name

  • N2-Acetyl-L-asparagine

Registry Numbers

CAS Registry Number

  • 4033-40-3

FDA UNII

  • D0P42N84Z6

System Generated Number

  • 0004033403

Structure Descriptors

InChI

1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1

InChIKey

HXFOXFJUNFFYMO-BYPYZUCNSA-N

Smiles

C([C@@H](C(=O)O)NC(=O)C)C(=O)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.60E+00 (none)   EXP
Water Solubility 4.78E+05 mg/L 25 EST
Vapor Pressure 3.29E-08 mm Hg 25 EST
Henry's Law Constant 1.16E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.82E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.