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Substance Name: Phosphonic acid, morpholino-, diphenyl ester
RN: 7412-25-1
InChIKey: YHQZCZRZUDDZTA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-N-O4-P

Molecular Weight

  • 319.295
 
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Names and Synonyms

Synonyms

  • 4-27-00-00630 (Beilstein Handbook Reference)
  • 4-Morpholinephosphonic acid, diphenyl ester
  • AI3-18296
  • BRN 0299323
  • Diphenyl morpholinophosphonate
  • Morpholinophosphonic acid, diphenyl ester
  • NSC 14507
  • Phosphonic acid, (4-morpholinyl)-, diphenyl ester

Systematic Names

  • Phosphonic acid, 4-morpholinyl-, diphenyl ester (9CI)
  • Phosphonic acid, morpholino-, diphenyl ester

Registry Numbers

CAS Registry Number

  • 7412-25-1

System Generated Number

  • 0007412251

Structure Descriptors

InChI

1S/C16H18NO4P/c18-22(17-11-13-19-14-12-17,20-15-7-3-1-4-8-15)21-16-9-5-2-6-10-16/h1-10H,11-14H2

InChIKey

YHQZCZRZUDDZTA-UHFFFAOYSA-N

Smiles

O=P(N1CCOCC1)(Oc1ccccc1)Oc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 287, 1953.
mouse LDLo intravenous 50mg/kg (50mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 138, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.670 (none)   EST
Water Solubility 2300 mg/L 25 EXP
Atmospheric OH Rate Constant 1.10E-10 cm3/molecule-sec 25 EST

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