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Substance Name: Diacetone acrylamide
RN: 2873-97-4
UNII: 3Z8J3430Z2
InChIKey: OMNKZBIFPJNNIO-UHFFFAOYSA-N

Note

  • A monomer in biomimetic hydrogels.

Molecular Formula

  • C9-H15-N-O2

Molecular Weight

  • 169.2225
 
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Names and Synonyms

Name of Substance

  • Diacetone acrylamide

Synonyms

  • 2-Propenamide, N,N-bis(2-oxopropyl)-
  • 2-Propenamide, N-(1,1-dimethyl-3-oxobutyl)-
  • Acrylamide, N,N-diacetonyl-
  • Acrylamide, N-(1,1-dimethyl-3-oxobutyl)-
  • BRN 1928444
  • CCRIS 5898
  • Diacetone acrylamide
  • Diacetoneacrylamide
  • EC 220-713-2
  • EINECS 220-713-2
  • HSDB 4278
  • N-(1,1-Dimethyl-3-oxobutyl)-2-propenamide
  • N-(1,1-Dimethyl-3-oxobutyl)acrylamide
  • N-(2-(2-Methyl-4-oxopentyl))acrylamide
  • NSC 130565
  • UNII-3Z8J3430Z2

Systematic Names

  • 2-Propenamide, N-(1,1-dimethyl-3-oxobutyl)-
  • Acrylamide, N-(1,1-dimethyl-3-oxobutyl)-
  • Diacetone acrylamide
  • N-(1,1-Dimethyl-3-oxobutyl)acrylamide

Registry Numbers

CAS Registry Number

  • 2873-97-4

FDA UNII

  • 3Z8J3430Z2

Other Registry Numbers

  • 19910-59-9
  • 45002-23-1
  • 56891-28-2
  • 66251-70-5

System Generated Number

  • 0002873974

Structure Descriptors

InChI

1S/C9H15NO2/c1-5-8(12)10-9(3,4)6-7(2)11/h5H,1,6H2,2-4H3,(H,10,12)

InChIKey

OMNKZBIFPJNNIO-UHFFFAOYSA-N

Smiles

C(NC(=O)C=C)(CC(=O)C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1303mg/kg (1303mg/kg)   Archives of Toxicology. Vol. 47, Pg. 179, 1981.
rabbit LD50 skin > 10gm/kg (10000mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 113, 1990.
rat LD50 oral 1770mg/kg (1770mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 113, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 57.5 deg C   EXP
log P (octanol-water) -0.050 (none)   EST
Water Solubility 1.37E+05 mg/L 25 EST
Vapor Pressure 5.79E-04 mm Hg 25 EST
Henry's Law Constant 2.04E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.60E-11 cm3/molecule-sec 25 EST

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