Pyridoxylidenetryptamine
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Basic information
- CAS
98497-88-2- Standard SMILES
Cc1ncc(CO)c(C=NCCc2c[nH]c3ccccc23)c1O- InChIKey
PBYGWYLXBVRYFQ-UHFFFAOYSA-N- Molecular formula
- C18H19N3O2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.14772686
Names & identifiers
- Preferred name
- Pyridoxylidenetryptamine
- IUPAC
- 5-(hydroxymethyl)-4-[2-(1H-indol-3-yl)ethyliminomethyl]-2-methylpyridin-3-ol
- English name
- N-((3-Hydroxy-5-hydroxymethyl-2-methyl)-4-pyridylmethylidene)tryptamin e
- Molecular formula
- C18H19N3O2
- Molecular weight
- 309.36
Names & synonyms
PyridoxylidenetryptamineBRN 030568198497-88-2N-((3-Hydroxy-5-hydroxymethyl-2-methyl)-4-pyridylmethylidene)tryptamine5-Hydroxy-4-(((2-(1H-indol-3-yl)ethyl)imino)methyl)-6-methyl-3-pyridinemethanol4-22-00-04346 (Beilstein Handbook Reference)3-Pyridinemethanol, 5-hydroxy-4-(((2-(1H-indol-3-yl)ethyl)imino)methyl)-6-methyl-pyridoxylidenetryptamine Schiff baseN-((3-Hydroxy-5-hydroxymethyl-2-methyl)-4-pyridylmethylidene)tryptamin e3-Pyridinemethanol, 5-hydroxy-4-[[[2-(1H-indol-3-yl)ethyl]imino]methyl]-6-methyl-
Database identifiers
- CAS
98497-88-2- PubChem CID
- 216464
- Nikkaji
- J824.318B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Boiling point
- 657.486 · 657.486±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.265 · 1.265±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.663 · 13.663±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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