3,4,5-三甲氧基苯乙胺

Description

3,4,5-trimethoxyphenethylamine · CAS 54-04-6 · C11H17NO3. UNII RHO99102VC. Boiling Point: 180 °C at 12 mm Hg; Melting Point: 35-36 °C; LogP: log Kow = 0.78.

Identification

CAS Registry Number	54-04-6
PubChem CID	4076
Molecular formula	C11H17NO3
IUPAC name	2-(3,4,5-trimethoxyphenyl)ethanamine
UNII (FDA)	RHO99102VC

Computed Descriptors

Molecular Weight	211.26
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	211.12084340
Monoisotopic Mass	211.12084340
Topological Polar Surface Area	53.7
Heavy Atom Count	15
Formal Charge	0

Physical & Chemical Properties

Boiling Point	180 °C at 12 mm Hg
Melting Point	35-36 °C
LogP	log Kow = 0.78
Dissociation Constants	pKa = 9.56

Physical description & handling notes

• Crystals. ... Takes up CO2 from the air and forms crystalline carbonate
• Moderately soluble in water; soluble in chloroform, benzene. Practically insoluble in ether, petroleum ether.
• Soluble in ethanol; slightly soluble in lignin
• Needles, mp 181 °C. Soluble in water, alcohol /Hydrochloride/
• Prisms, mp 183-186 °C. Soluble in hot water, methanol; sparingly soluble in cold water, ethanol. /Sodium dihydrate/
• Crystals, mp 158 °C /Acid sulfate/

GHS Hazard Classification

Reported hazard statements	H302 (100%)

Documented Uses

• Therapeutic use: Experimental psychotomimetic.
• Biochemical and medical research, hallucinogenic drug
• The legal use of peyote and mescaline in the United States today is limited to Indian tribes in the Native American Church who use the peyote as part of their religious ceremony.
• Psychotomimetic alkaloid isolated from peyote (mescal buttons), the flowering heads of Lophophora williamsii (Lemaire) Cout., Cactaceae
• This is a controlled substance (hallucinogen)
• Mescaline (Class: Other Substances, Added Date: 10-1998)

Synonyms

mescaline; Mescalin; 3,4,5-Trimethoxyphenethylamine; 54-04-6; Mezcaline; 2-(3,4,5-Trimethoxyphenyl)ethanamine; 3,4,5-Trimethoxybenzeneethanamine; 3,4,5-Trimethoxyphenylethylamine; Benzeneethanamine, 3,4,5-trimethoxy-; NSC-30419; RHO99102VC; CHEBI:28346; DTXSID80202303; RefChem:6005; DTXCID40124794; 200-190-7

Frequently Asked Questions

What are the CAS number and molecular formula of 3,4,5-trimethoxyphenethylamine?

CAS 54-04-6; molecular formula C11H17NO3; molecular weight — g/mol.

What other names is 3,4,5-trimethoxyphenethylamine known by?

mescaline, Mescalin, 3,4,5-Trimethoxyphenethylamine, 54-04-6, Mezcaline, 2-(3,4,5-Trimethoxyphenyl)ethanamine.

Is 3,4,5-trimethoxyphenethylamine classified as hazardous?

Hazard statements reported: H302.

What are the key physical properties of 3,4,5-trimethoxyphenethylamine?

Boiling Point: 180 °C at 12 mm Hg; Melting Point: 35-36 °C; LogP: log Kow = 0.78; Dissociation Constants: pKa = 9.56.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.