2,3,4-Trimethoxyamphetamine

HCID 31012

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

Physicochemical properties

FDA UNII
9 T3SO4A6HM · 9T3SO4A6HM

Chemistry & industry

Suppliers1 total

UKRORGSYN-BB[email protected]

Related reactions

1 records

Compound notes

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