Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Aniline, 2-propyl-
RN: 1821-39-2
InChIKey: WKURVXXDGMYSDP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H13-N

Molecular Weight

  • 135.209
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-Amino-2-propylbenzene
  • 2-Propylaniline
  • 2-Propylbenzenamine
  • 4-12-00-02580 (Beilstein Handbook Reference)
  • Aniline, o-propyl-
  • BRN 0636589
  • EINECS 217-346-5
  • o-Propylaniline

Systematic Names

  • 2-Propylaniline
  • Aniline, 2-propyl-
  • Benzenamine, 2-propyl- (9CI)

Registry Numbers

CAS Registry Number

  • 1821-39-2

System Generated Number

  • 0001821392

Structure Descriptors

InChI

1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3

InChIKey

WKURVXXDGMYSDP-UHFFFAOYSA-N

Smiles

c1(c(cccc1)N)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 900, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 226 deg C   EXP
log P (octanol-water) 2.610 (none)   EST
Atmospheric OH Rate Constant 1.34E-10 cm3/molecule-sec 25 EST

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