Basic information
- CAS
1082-88-8- Standard SMILES
COc1cc(CC(C)N)cc(OC)c1OC- InChIKey
WGTASENVNYJZBK-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.13649347
Names & identifiers
- Preferred name
- 3,4,5-Trimethoxyamphetamine
- IUPAC
- 1-(3,4,5-trimethoxyphenyl)propan-2-amine
- English name
- Trimethoxyamphetamine
- Molecular formula
- C12H19NO3
- Molecular weight
- 225.28
Names & synonyms
3,4,5-TRIMETHOXYAMPHETAMINEalpha-MethylmescalineTrimethoxyamphetamine1082-88-8.alpha.-Methylmescalinedl-3,4,5-TrimethoxyamphetamineTrimethoxyphenyl-beta-aminopropane1-(3,4,5-trimethoxyphenyl)propan-2-amine3,4,5-Trimethoxyphenyl-beta-aminopropaneUNII-P2K02L3YONP2K02L3YONPhenethylamine, 3,4,5-trimethoxy-.alpha.-methyl-
Show more names
α-Methylmescaline3,4,5-TRIMETHOXYAMPHETAMINWGTASENVNYJZBK-UHFFFAOYSA-N3,4,5-TRIMETHOXYAMPHETAMIN, >99% (HPLC)1-(3,4,5-Trimethoxyphenyl)-2-propanamineα-Methyl-3,4,5-trimethoxybenzeneethanamine3,4,5-Trimethoxy-α-methylbenzeneethanamine
Phenethylamine, 3,4,5-trimethoxy-alpha-methyl-Phenethylamine, alpha-methyl-3,4,5-trimethoxy-Benzeneethanamine, 3,4,5-trimethoxy-alpha-methyl-(+-)-1-(3,4,5-Trimethoxyphenyl)-2-aminopropaneJ13.144J3,4,5-TRIMETHOXYAMPHETAMINE, DL-DTXSID00862529Trimethoxyphenyl-.beta.-aminopropane
Database identifiers
- CAS
1082-88-8、146849-92-5- PubChem CID
- 31016
- DTXSID
DTXSID00862529- ChEMBL
CHEMBL30336- UNII
- P2K02L3YON
- Nikkaji
- J13.144J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 187
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Phenethylamines (Amphetamines) (H)
DEA NFLIS-Drug Category -> Phenethylamines (Amphetamines) (H)
Physicochemical properties
- Melting point
- 218 °C · 218 °C
- Boiling point
- 366.8 °C · 366.8°C (rough estimate)
- Density
- 1.0951 · 1.0951 (rough estimate)
- refractive index
- 1.4596 · 1.4596 (estimate)
- pka
- 9.61 · 9.61±0.10(Predicted)
- FDA UNII
- 2 K02L3YON · P2K02L3YON
- DEA Controlled Substances
- 7390 CSA · CSCN: 7390CSA SCH: Schedule INARC: No
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- DEA Controlled Substances
- CSCN: 7390CSA SCH: Schedule INARC: No
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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