Basic information
- CAS
1082-23-1- Standard SMILES
COc1ccc(CC(C)N)c(OC)c1OC- InChIKey
LWDQPPLPHGXYLG-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.13649347
Names & identifiers
- Preferred name
- 2,3,4-Trimethoxyamphetamine
- IUPAC
- 1-(2,3,4-trimethoxyphenyl)propan-2-amine
- English name
- Benzenethanamine, 2,3,4-trimethoxy-alpha-methyl-, (+-)-
- Molecular formula
- C12H19NO3
- Molecular weight
- 225
Names & synonyms
1082-23-12,3,4-TrimethoxyamphetamineDTXSID60874365RefChem:1059207DTXCID7010124931-(2,3,4-trimethoxyphenyl)propan-2-amine9T3SO4A6HMCHEMBL307772,3,4-TRIMETHOXYAMPHETAMINE, DL-Phenethylamine, 2,3,4-trimethoxy-.alpha.-methyl-BRN 2113500UNII-9T3SO4A6HM
Show more names
1-(2,3,4-Trimethoxyphenyl)-2-propanamineBenzenethanamine, 2,3,4-trimethoxy-alpha-methyl-, (+-)-
TMA-3Phenethylamine, 2,3,4-trimethoxy-alpha-methyl-Phenethylamine, alpha-methyl-2,3,4-trimethoxy-J13.145Halpha-methyl-2,3,4-trimethoxyphenethylamineSCHEMBL393804Benzeneethanamine, 2,3,4-trimethoxy-.alpha.-methyl-DL-2,3,4-trimethoxyamphetamine
Database identifiers
- CAS
1082-23-1、22199-12-8- PubChem CID
- 31012
- DTXSID
DTXSID60874365- ChEMBL
CHEMBL30777- UNII
- 9T3SO4A6HM
- Nikkaji
- J13.145H
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- 201
Physicochemical properties
- FDA UNII
- 9 T3SO4A6HM · 9T3SO4A6HM
Chemistry & industry
Suppliers1 total
UKRORGSYN-BB[email protected]
Related reactions
1 records
Compound notes
Loading…