o-Desmethylpyrilamine
Basic information
- CAS
57830-29-2- Standard SMILES
CN(C)CCc1cc(O)ccc1CNc1ccccn1- InChIKey
MLZJQYLMBLQQRV-UHFFFAOYSA-N- Molecular formula
- C16H21N3O
- Average molar mass
- 271.36 g/mol
- Monoisotopic mass
- 271.1684623
Overview
a major metabolite of pyrilamine detected in equine serum and urine
Names & identifiers
- Preferred name
- o-Desmethylpyrilamine
- IUPAC
- 3-[2-(dimethylamino)ethyl]-4-[(pyridin-2-ylamino)methyl]phenol
- English name
- O-Desmethylpyrilamine
- Molecular formula
- C16H21N3O
- Molecular weight
- 271.36
Names & synonyms
(2-(2-Dimethylaminoethyl)(p-hydroxybenzyl)amino)pyridineO-Desmethylpyrilamine1Y08G6FBJ2DTXSID80206543RefChem:167190DTXCID1012903457830-29-2CCRIS 21773-[2-(dimethylamino)ethyl]-4-[(pyridin-2-ylamino)methyl]phenolUNII-1Y08G6FBJ2AKOS030254658(2[2-DIMETHYLAMINOETHYL)(P-HYDROXYBENZYL)AMINO]PYRIDINE
Show more names
Avanafil Impurity 1064-Hydroxytripelennamine4-[[[2-(DiMethylaMino)ethyl]-2-pyridinylaMino]Methyl]phenolPhenol, 4-[[[2-(dimethylamino)ethyl]-2-pyridinylamino]methyl]-N-(2-Pyridinyl)-N-(4-hydroxybenzyl)-N',N'-dimethyl-1,2-ethanediamine
3-[2-(Dimethylamino)ethyl]-4-{[(pyridin-2-yl)amino]methyl}phenol
Database identifiers
- CAS
57830-29-2- PubChem CID
- 6453530
- DTXSID
DTXSID80206543
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 131 · 131-133°C
- Boiling point
- 440.5 · 440.5±40.0 °C(Predicted)
- Density
- 1.147 · 1.147±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Acetontrile (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.76 · 9.76±0.15(Predicted)
- color
- White
- FDA UNII
- 1 Y08G6FBJ2 · 1Y08G6FBJ2
Chemistry & industry
Applications
UsesA metabolite of the antihistamine Pyrilamine.
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Related reactions
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Compound notes
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