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Substance Name: Alphate
RN: 2157-98-4
InChIKey: KRTSDMXIXPKRQR-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-N-O5-P

Molecular Weight

  • 223.164
 
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Names and Synonyms

Results Name

  • Alphate

Synonyms

  • 1-Methyl-3-(methylamino)-3-oxo-1-propenyl dimethyl phosphate
  • Alphate
  • CCRIS 5216
  • EINECS 218-473-9
  • Phosphoric acid, dimethyl ester, ester with 3-hydroxy-N-methylcrotonamide

Systematic Names

  • Crotonamide, 3-hydroxy-N-methyl-, dimethyl phosphate (ester)
  • Dimethyl 1-methyl-3-(methylamino)-3-oxoprop-1-enyl phosphate
  • Phosphoric acid, dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl ester

Registry Numbers

CAS Registry Number

  • 2157-98-4

System Generated Number

  • 0002157984

Structure Descriptors

InChI

1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)

InChIKey

KRTSDMXIXPKRQR-UHFFFAOYSA-N

Smiles

CNC(=O)\C=C(/C)OP(=O)(OC)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.2 (none)   EXP
Water Solubility 4.91E+04 mg/L 25 EST
Vapor Pressure 1.32E-05 mm Hg 25 EST
Henry's Law Constant 5.45E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.22E-11 cm3/molecule-sec 25 EST

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