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Substance Name: Benzoic acid, 2-(((aminocarbonyl)amino)carbonyl)- (9CI)
RN: 13435-16-0
InChIKey: ZGWSIKBJQLBUPK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H8-N2-O4

Molecular Weight

  • 208.172
 
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Names and Synonyms

Synonyms

  • 4-09-00-03263 (Beilstein Handbook Reference)
  • BRN 3531296
  • N-Carbamoylphthalamic acid
  • Phthalic acid monoureide

Systematic Names

  • Benzoic acid, 2-(((aminocarbonyl)amino)carbonyl)- (9CI)
  • Phthalamic acid, N-carbamoyl-

Registry Numbers

CAS Registry Number

  • 13435-16-0

System Generated Number

  • 0013435160

Structure Descriptors

InChI

1S/C9H8N2O4/c10-9(15)11-7(12)5-3-1-2-4-6(5)8(13)14/h1-4H,(H,13,14)(H3,10,11,12,15)

InChIKey

ZGWSIKBJQLBUPK-UHFFFAOYSA-N

Smiles

O=C(c1c(cccc1)C(=O)O)NC(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 80, Pg. 335, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.430 (none)   EST
Water Solubility 3.50E+04 mg/L 99 EXP
Atmospheric OH Rate Constant 3.00E-12 cm3/molecule-sec 25 EST

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