Basic information
- CAS
536719-83-2- Standard SMILES
N=C1CC(=O)N2C=CC=CC2=N1- InChIKey
IIVPIQHCNMXQFW-UHFFFAOYSA-N- Molecular formula
- C8H7N3O
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.05891186
Names & identifiers
- Preferred name
- 2-Imino-2H-pyrido[1,2-a]pyrimidin-4(3H)-one
- IUPAC
- 2-iminopyrido[1,2-a]pyrimidin-4-one
- English name
- 4H-Pyrido[1,2-a]pyrimidin-4-one,2,3-dihydro-2-imino-(9CI)
- Molecular formula
- C8H7N3O
- Molecular weight
- 161.16
Names & synonyms
536719-83-22-Imino-2H-pyrido[1,2-a]pyrimidin-4(3H)-oneDB-2724764H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, 2,3-DIHYDRO-2-IMINO-4H-Pyrido[1,2-a]pyrimidin-4-one,2,3-dihydro-2-imino-(9CI)
Database identifiers
- CAS
536719-83-2- PubChem CID
- 35726740
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 265.8 · 265.8±23.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 5.36 · 5.36±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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