Basic information
- CAS
57584-56-2- Standard SMILES
Nc1ccc(-c2nc(NCCO)c3ccccc3n2)s1- InChIKey
OZFXSYJRNXCVBZ-UHFFFAOYSA-N- Molecular formula
- C14H14N4OS
- Average molar mass
- 286.35 g/mol
- Monoisotopic mass
- 286.08883226
Names & identifiers
- Preferred name
- Ethanol, 2-((2-(5-amino-2-thienyl)-4-quinazolinyl)amino)-
- IUPAC
- 2-[[2-(5-aminothiophen-2-yl)quinazolin-4-yl]amino]ethanol
- English name
- 2-[[2-(5-Amino-2-thienyl)-4-quinazolinyl]amino]ethanol
- Molecular formula
- C14H14N4OS
- Molecular weight
- 286.35
Names & synonyms
57584-56-2Ethanol, 2-((2-(5-amino-2-thienyl)-4-quinazolinyl)amino)-2-((2-(5-Amino-2-thienyl)-4-quinazolinyl)amino)ethanolDTXSID702062142-{[2-(5-aminothiophen-2-yl)quinazolin-4-yl]amino}ethan-1-olDB-2924592-[[2-(5-Amino-2-thienyl)-4-quinazolinyl ]amino]ethanol2-(2-(5-AMINO-2-THIENYL)-4-QUINAZOLINYL)AMINOETHANOL2-[[2-(5-Amino-2-thienyl)-4-quinazolinyl]amino]ethanolEthanol, 2-[[2-(5-amino-2-thienyl)-4-quinazolinyl]amino]-
Database identifiers
- CAS
57584-56-2- PubChem CID
- 148809
- DTXSID
DTXSID70206214- Nikkaji
- J78.140A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 482.9 · 482.9±45.0 °C(Predicted)
- Density
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- pka
- 14.52 · 14.52±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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