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Substance Name: 2,3,4-Trimethoxyamphetamine, DL-
RN: 1082-23-1
UNII: 9T3SO4A6HM
InChIKey: LWDQPPLPHGXYLG-UHFFFAOYSA-N

Molecular Formula

  • C12-H19-N-O3

Molecular Weight

  • 225.286
 
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Names and Synonyms

Name of Substance

  • 2,3,4-Trimethoxyamphetamine, DL-

Synonyms

  • BRN 2113500
  • Phenethylamine, alpha-methyl-2,3,4-trimethoxy-
  • UNII-9T3SO4A6HM

Systematic Name

  • Phenethylamine, 2,3,4-trimethoxy-alpha-methyl-

Registry Numbers

CAS Registry Number

  • 1082-23-1

FDA UNII

  • 9T3SO4A6HM

System Generated Number

  • 0001082231

Structure Descriptors

InChI

1S/C12H19NO3/c1-8(13)7-9-5-6-10(14-2)12(16-4)11(9)15-3/h5-6,8H,7,13H2,1-4H3

InChIKey

LWDQPPLPHGXYLG-UHFFFAOYSA-N

Smiles

C[C@@H](N)Cc1c(OC)c(OC)c(OC)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 120mg/kg (120mg/kg)   Experientia. Vol. 20, Pg. 366, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.51 (none)   EXP
Water Solubility 1.69E+04 mg/L 25 EST
Vapor Pressure 2.31E-04 mm Hg 25 EST
Henry's Law Constant 2.23E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.47E-10 cm3/molecule-sec 25 EST

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