Product Name

  • Name

    4-Ethoxy-3,5-dimethoxybenzeneethanamine

  • EINECS
  • CAS No. 39201-82-6
  • Article Data3
  • CAS DataBase
  • Density 1.051 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H19NO3
  • Boiling Point 327.591 °C at 760 mmHg
  • Molecular Weight 225.288
  • Flash Point 153.439 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 39201-82-6 (4-Ethoxy-3,5-dimethoxybenzeneethanamine)
  • Hazard Symbols
  • Synonyms Benzeneethanamine,4-ethoxy-3,5-dimethoxy-;3,5-Dimethoxy-4 ethoxyphenylethylamine;2-(4-Ethoxy-3,5-dimethoxy-phenyl)ethanamine;
  • PSA 53.71000
  • LogP 2.30400

Synthetic route

3,5-Dimethoxy-4-ethoxy-ω-nitrostyrol
54110-92-8

3,5-Dimethoxy-4-ethoxy-ω-nitrostyrol

Escaline
39201-82-6

Escaline

Conditions
ConditionsYield
With lithium aluminium tetrahydride; diethyl ether
(4-Ethoxy-3,5-dimethoxy-phenyl)-acetonitrile
61367-64-4

(4-Ethoxy-3,5-dimethoxy-phenyl)-acetonitrile

Escaline
39201-82-6

Escaline

Conditions
ConditionsYield
With hydrogenchloride; hydrogen; palladium on activated charcoal In ethanol
With hydrogenchloride; palladium; acetic acid Hydrogenation;
4-hydroxy-3,5-dimethoxyphenylacetonitrile
42973-55-7

4-hydroxy-3,5-dimethoxyphenylacetonitrile

Escaline
39201-82-6

Escaline

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: K2CO3 / acetone
2: H2, aq. HCl / Pd-C / ethanol
View Scheme

Escaline Specification

The Escaline, with the CAS registry number 39201-82-6, is also known as 3,5-Dimethoxy-4 ethoxyphenylethylamine. It belongs to the classification code of Drug / Therapeutic Agent. This chemical's molecular formula is C12H19NO3 and molecular weight is 225.28. What's more, both its IUPAC name and systematic name are the same which is called 2-(4-Ethoxy-3,5-dimethoxyphenyl)ethanamine. Escaline is a psychedelic drug and entheogen of the phenethylamine class of compounds.

Physical properties about Escaline are: (1)ACD/LogP: 1.044; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.01; (4)ACD/LogD (pH 7.4): -1.09; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 53.71 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 64.006 cm3; (15)Molar Volume: 214.442 cm3; (16)Polarizability: 25.374×10-24cm3; (17)Surface Tension: 35.299 dyne/cm; (18)Density: 1.051 g/cm3; (19)Flash Point: 153.439 °C; (20)Enthalpy of Vaporization: 56.99 kJ/mol; (21)Boiling Point: 327.591 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1c(OC)cc(cc1OC)CCN)CC
(2) InChI: 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
(3) InChIKey: RHOGRSKNWDNCDN-UHFFFAOYSA-N

The toxicity data is as follows:

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.

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