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Substance Name: Acetonitrile, o-anisidino-
RN: 28354-25-8
InChIKey: YLHGOLRGUDDMDW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-N2-O

Molecular Weight

  • 162.191
 
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Names and Synonyms

Synonyms

  • 4-13-00-00856 (Beilstein Handbook Reference)
  • AI3-02824
  • BRN 2719761
  • NSC 406187
  • o-Anisidinoacetonitrile

Systematic Names

  • Acetonitrile, ((2-methoxyphenyl)amino)-
  • Acetonitrile, o-anisidino-

Registry Numbers

CAS Registry Number

  • 28354-25-8

System Generated Number

  • 0028354258

Structure Descriptors

InChI

1S/C9H10N2O/c1-12-9-5-3-2-4-8(9)11-7-6-10/h2-5,11H,7H2,1H3

InChIKey

YLHGOLRGUDDMDW-UHFFFAOYSA-N

Smiles

c1(c(cccc1)OC)NCC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 722mg/kg (722mg/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) 1.3 (none)   EXP
Water Solubility 2820 mg/L 25 EST
Vapor Pressure 7.90E-04 mm Hg 25 EST
Henry's Law Constant 1.03E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.94E-11 cm3/molecule-sec 25 EST

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