Basic information
- CAS
15402-79-6- Standard SMILES
COc1cc(OC)c(CC(C)N)c(OC)c1- InChIKey
DDGNOUVDFKXADP-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.13649347
Names & identifiers
- Preferred name
- (+-)-2,4,6-Trimethoxyamphetamine
- IUPAC
- 1-(2,4,6-trimethoxyphenyl)propan-2-amine
- English name
- 2,4,6-TRIMETHOXYAMPHETAMIN
- Molecular formula
- C12H19NO3
- Molecular weight
- 225.28
Names & synonyms
2,4,6-TRIMETHOXYAMPHETAMINE15402-79-62X84DCO6GA2,4,6-Trimethoxyamphetamine, DL-benzeneethanamine, 2,4,6-trimethoxy-alpha-methyl-J273.469IPhenethylamine, 2,4,6-trimethoxy-alpha-methyl-DTXSID40874363RefChem:1049020DTXCID30970909(+-)-2,4,6-Trimethoxyamphetamine1-(2,4,6-trimethoxyphenyl)propan-2-amine
Show more names
α-Methyl-2,4,6-trimethoxyphenethylamine2,4,6-TRIMETHOXYAMPHETAMIN, >99% (HPLC)1-(2,4,6-Trimethoxyphenyl)-2-propanamineα-Methyl-2,4,6-trimethoxybenzeneethaneamineBenzeneethanamine, 2,4,6-trimethoxy-α-methyl-Benzeneethanamine, 2,4,6-trimethoxy-α-methyl-
TMA-6(+/-)-2,4,6-TrimethoxyamphetamineUNII-2X84DCO6GACHEMBL341082,4,6-TRIMETHOXYAMPHETAMINPhenethylamine, 2,4,6-trimethoxy-.alpha.-methyl-SCHEMBL394380Benzeneethanamine, 2,4,6-trimethoxy-.alpha.-methyl-
Database identifiers
- CAS
15402-79-6、22199-16-2- PubChem CID
- 31015
- DTXSID
DTXSID40874363- ChEMBL
CHEMBL34108- UNII
- 2X84DCO6GA
- Nikkaji
- J273.469I
Properties
Computed structural properties
- XLogP
- 1.6
- 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
DrugsDEA NFLIS-Drug Category -> Phenethylamines (Amphetamines) (H)
Physicochemical properties
- Melting point
- 200 °C · 200 °C
- Boiling point
- 334.4 · 334.4±37.0 °C(Predicted)
- Density
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- pka
- 9.54 · 9.54±0.10(Predicted)
- FDA UNII
- 2 X84DCO6GA · 2X84DCO6GA
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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