Hydroxymethyltriprolidine
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Basic information
- CAS
121530-42-5- Standard SMILES
OCc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1- InChIKey
TWHRYAZJCOWNBG-VCHYOVAHSA-N- Molecular formula
- C19H22N2O
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.17321333
Overview
structure given in first source
Names & identifiers
- Preferred name
- Hydroxymethyltriprolidine
- IUPAC
- [4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol
- English name
- hydroxymethyltriprolidine
- Molecular formula
- C19H22N2O
- Molecular weight
- 294.39
Names & synonyms
HydroxymethyltriprolidineHMTP121530-42-52-(1-(4-Hydroxymethylphenyl)-3-(1-pyrrolidinyl-1-propenyl))pyridineRefChem:147225SCHEMBL29636304Benzenemethanol, 4-(1-(2-pyridinyl)-3-(1-pyrrolidinyl)-1-propenyl)-, (E)-[4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-yl-prop-1-enyl]phenyl]methanol
Database identifiers
- CAS
121530-42-5- PubChem CID
- 6439092
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 488.77 · 488.770±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.134 · 1.134±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.379 · 14.379±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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