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Substance Name: Escaline
RN: 39201-82-6
UNII: Q13F1C1N8I
InChIKey: RHOGRSKNWDNCDN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N-O3

Molecular Weight

  • 225.2861
 
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Names and Synonyms

Name of Substance

  • Escaline

Synonyms

  • 3,5-Dimethoxy-4 ethoxyphenylethylamine
  • 3,5-Methoxy-4-ethoxyphenethylamine
  • 4-13-00-02919 (Beilstein Handbook Reference)
  • BRN 3291768
  • UNII-Q13F1C1N8I

Systematic Name

  • Ethylamine, 3,5-dimethoxy-4-ethoxyphenyl-

Registry Numbers

CAS Registry Number

  • 39201-82-6

FDA UNII

  • Q13F1C1N8I

System Generated Number

  • 0039201826

Structure Descriptors

InChI

1S/C12H19NO3/c1-4-16-12-10(14-2)7-9(5-6-13)8-11(12)15-3/h7-8H,4-6,13H2,1-3H3

InChIKey

RHOGRSKNWDNCDN-UHFFFAOYSA-N

Smiles

CCOc1c(OC)cc(CCN)cc1OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo parenteral 300mg/kg (300mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Pharmacology and Experimental Therapeutics. Vol. 50, Pg. 359, 1934.
mouse LDLo intraperitoneal 300mg/kg (300mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 50, Pg. 359, 1934.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.11 (none)   EXP
Water Solubility 3.70E+04 mg/L 25 EST
Vapor Pressure 1.25E-04 mm Hg 25 EST
Henry's Law Constant 2.23E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.41E-10 cm3/molecule-sec 25 EST

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