1-Propanol, 3-[(2-chloro-4-quinazolinyl)amino]-
Basic information
- CAS
134517-35-4- Standard SMILES
OCCCNc1nc(Cl)nc2ccccc12- InChIKey
YTPXHENDHCGGPV-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3O
- Average molar mass
- 237.68 g/mol
- Monoisotopic mass
- 237.0668897
Names & identifiers
- Preferred name
- 1-Propanol, 3-[(2-chloro-4-quinazolinyl)amino]-
- IUPAC
- 3-[(2-chloroquinazolin-4-yl)amino]propan-1-ol
- English name
- 3-(2-Chloro-quinazolin-4-ylamino)-propan-1-ol
- Molecular formula
- C11H12ClN3O
- Molecular weight
- 237.69
Names & synonyms
134517-35-41-Propanol, 3-[(2-chloro-4-quinazolinyl)amino]-3-((2-chloroquinazolin-4-yl)amino)propan-1-ol3-[(2-chloroquinazolin-4-yl)amino]propan-1-ol3-[(2-Chloro-4-quinazolinyl)amino]-1-propanol3-(2-Chloro-quinazolin-4-ylamino)-propan-1-olSCHEMBL7330423DTXSID201252145AKOS011765112DB-151235F95292
Database identifiers
- CAS
134517-35-4- PubChem CID
- 19902154
- DTXSID
DTXSID201252145
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 418.5 · 418.5±37.0 °C(Predicted)
- Density
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- pka
- 14.92 · 14.92±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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