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Substance Name: Benzamide, o-((cyanomethyl)amino)-
RN: 88203-05-8
InChIKey: CXUDIIIEZHHTDL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H9-N3-O

Molecular Weight

  • 175.1901
 
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Names and Synonyms

Synonyms

  • Benzamide, 2-((cyanomethyl)amino)-
  • o-((Cyanomethyl)amino)benzamide

Systematic Name

  • Benzamide, o-((cyanomethyl)amino)-

Registry Numbers

CAS Registry Number

  • 88203-05-8

System Generated Number

  • 0088203058

Structure Descriptors

InChI

1S/C9H9N3O/c10-5-6-12-8-4-2-1-3-7(8)9(11)13/h1-4,12H,6H2,(H2,11,13)

InChIKey

CXUDIIIEZHHTDL-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C(=O)N)NCC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 531mg/kg (531mg/kg) BEHAVIORAL: ANALGESIA Farmaco, Edizione Scientifica. Vol. 38, Pg. 847, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.5 (none)   EXP
Water Solubility 1.18E+04 mg/L 25 EST
Vapor Pressure 7.45E-07 mm Hg 25 EST
Henry's Law Constant 7.13E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.25E-11 cm3/molecule-sec 25 EST

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