Basic information
- CAS
90791-20-1- Standard SMILES
COc1cc(OC)c(C2CCC2N)cc1OC- InChIKey
FVHLLYXOSNOULA-UHFFFAOYSA-N- Molecular formula
- C13H19NO3
- Average molar mass
- 237.29 g/mol
- Monoisotopic mass
- 237.13649347
Overview
in contrast to the related compound DOM it is not a hallucinogen; RN & structure given in first source; RN refers to (cis)-isomer
Names & identifiers
- Preferred name
- 2-(2,4,5-Trimethoxyphenyl)cyclobutylamine
- IUPAC
- 2-(2,4,5-trimethoxyphenyl)cyclobutan-1-amine
- English name
- 2-(2,4,5-trimethoxyphenyl)cyclobutylamine
- Molecular formula
- C13H19NO3
- Molecular weight
- 237.29
Names & synonyms
2-Tpcb2-(2,4,5-Trimethoxyphenyl)cyclobutylamine90791-20-1RefChem:839022-(2,4,5-trimethoxyphenyl)cyclobutan-1-amineDTXSID70920160Cyclobutanamine, 2-(2,4,5-trimethoxyphenyl)-, cis- (9CI)
Database identifiers
- CAS
90791-20-1- PubChem CID
- 146232
- DTXSID
DTXSID70920160
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 346.2 · 346.2±42.0 °C(Predicted)
- Density
- 1.105 · 1.105±0.06 g/cm3(Predicted)
- pka
- 10.34 · 10.34±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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