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Substance Name: o-Phenetidine
RN: 94-70-2
UNII: I76155S2AA
InChIKey: ULHFFAFDSSHFDA-UHFFFAOYSA-N

Molecular Formula

  • C8-H11-N-O

Molecular Weight

  • 137.181
 
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Names and Synonyms

Name of Substance

  • o-Phenetidine

Synonyms

  • 1-Amino-2-ethoxybenzene
  • 2-Aminophenetole
  • 2-Ethoxyaniline
  • 2-Ethoxybenzenamine
  • 2-Ethoxyphenylamine
  • 4-13-00-00807 (Beilstein Handbook Reference)
  • AI3-09043
  • BRN 0637069
  • CCRIS 4697
  • EC 202-356-4
  • EINECS 202-356-4
  • NSC 9818
  • o-Aminophenetole
  • o-Ethoxyaniline
  • o-Phenetidine
  • UNII-I76155S2AA

Systematic Names

  • Benzenamine, 2-ethoxy-
  • o-Phenetidine

Superlist Names

  • Benzenamine, 2-ethoxy-
  • o-Phenetidine

Registry Numbers

CAS Registry Number

  • 94-70-2

FDA UNII

  • I76155S2AA

System Generated Number

  • 0000094702

Structure Descriptors

InChI

1S/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3

InChIKey

ULHFFAFDSSHFDA-UHFFFAOYSA-N

Smiles

c1(c(cccc1)N)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 600mg/kg (600mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 52, Pg. 215, 1956.
rabbit LD50 oral 600mg/kg (600mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 52, Pg. 215, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.10E+01 deg C   EXP
Boiling Point 232.5 deg C   EXP
pKa Dissociation Constant 4.43 (none) 28 EXP
log P (octanol-water) 1.650 (none)   EST
Water Solubility 3370 mg/L 25 EST
Vapor Pressure 0.029 mm Hg 25 EST
Henry's Law Constant 1.50E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.93E-11 cm3/molecule-sec 25 EST

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