Guaiactamine
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Basic information
- CAS
15687-23-7- Standard SMILES
CCN(CC)CCOc1ccccc1OC- InChIKey
OTEAKJIIJRDXBV-UHFFFAOYSA-N- Molecular formula
- C13H21NO2
- Average molar mass
- 223.31 g/mol
- Monoisotopic mass
- 223.15722891
Overview
Guaiactamine is a small molecule drug. Guaiactamine has a monoisotopic molecular weight of 223.16 Da.
Names & identifiers
- Preferred name
- Guaiactamine
- IUPAC
- N,N-diethyl-2-(2-methoxyphenoxy)ethanamine
- English name
- Guaiactamine
- Molecular formula
- C13H21NO2
- Molecular weight
- 223.31
Names & synonyms
GuaiactamineGaiactamineN,N-Diethyl-2-(2-methoxyphenoxy)ethanamine15687-23-7GuayactaminaGuaiactamine [INN]2-(o-Methoxyphenoxy)triethylamineGuaiactaminumo-MethoxyphenoxyethyldiethylamineGuaiactaminum [INN-Latin]Guayactamina [INN-Spanish]Triethylamine, 2-(o-methoxyphenoxy)-
Show more names
DTXSID6046139UNII-261MHO395HEthanamine, N,N-diethyl-2-(2-methoxyphenoxy)-BRN 3269003261MHO395HGUAIACTAMINE [WHO-DD]DTXCID40261394-06-00-05590 (Beilstein Handbook Reference)
Database identifiers
- CAS
15687-23-7- PubChem CID
- 36190
- DTXSID
DTXSID6046139- ChEMBL
CHEMBL1617540- UNII
- 261MHO395H
- Nikkaji
- J9.009C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 148 · 148-150 °C(Press: 10 Torr)
- Density
- 0.982 · 0.982±0.06 g/cm3(Predicted)
- pka
- 9.63 · 9.63±0.25(Predicted)
- FDA UNII
- 261 MHO395H · 261MHO395H
Chemistry & industry
Applications
UsesGaiactamine is used in the preparation of isoindolines as adrenergic neuronal blocking agents.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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