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Substance Name: 2,5-Dimethoxyaniline
RN: 102-56-7
UNII: V3Z5U3FL10
InChIKey: NAZDVUBIEPVUKE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H11-N-O2

Molecular Weight

  • 153.18
 
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Names and Synonyms

Name of Substance

  • 2,5-Dimethoxyaniline

Synonyms

  • 1-Amino-2,5-dimethoxybenzene
  • 2,5-Dimethoxyaniline
  • 2,5-Dimethoxybenzenamine
  • 4-13-00-02548 (Beilstein Handbook Reference)
  • AI3-16637
  • Aminohydroquinone dimethyl ether
  • BRN 0776823
  • C.I. 35811
  • EC 203-040-9
  • EINECS 203-040-9
  • NSC 4138
  • UNII-V3Z5U3FL10

Systematic Names

  • 2,5-Dimethoxyaniline
  • Aniline, 2,5-dimethoxy-
  • Benzenamine, 2,5-dimethoxy-

Superlist Names

  • 2,5-Dimethoxyaniline
  • Benzenamine, 2,5-dimethoxy-

Registry Numbers

CAS Registry Number

  • 102-56-7

FDA UNII

  • V3Z5U3FL10

System Generated Number

  • 0000102567

Structure Descriptors

InChI

1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3

InChIKey

NAZDVUBIEPVUKE-UHFFFAOYSA-N

Smiles

c1(cc(c(OC)cc1)N)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 100mg/kg (100mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
mouse LD50 oral 120mg/kg (120mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 4(2), Pg. 30, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 82.5 deg C   EXP
Boiling Point 270 deg C   EXP
pKa Dissociation Constant 3.93 (none)   EXP
log P (octanol-water) 1.2 (none)   EXP
Water Solubility 6940 mg/L 25 EST
Vapor Pressure 8.28E-03 mm Hg 25 EST
Henry's Law Constant 6.66E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.02E-10 cm3/molecule-sec 25 EST

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