4H-Pyrido[1,2-a]pyrimidin-4-one
Basic information
- CAS
23443-10-9- Standard SMILES
O=c1ccnc2ccccn12- InChIKey
NYJWYCAHJRGKMI-UHFFFAOYSA-N- Molecular formula
- C8H6N2O
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.04801282
Names & identifiers
- Preferred name
- 4H-Pyrido[1,2-a]pyrimidin-4-one
- IUPAC
- pyrido[1,2-a]pyrimidin-4-one
- English name
- Pyrido[1,2-a]pyriMidin-4-one
- Molecular formula
- C8H6N2O
- Molecular weight
- 146.15
Names & synonyms
4H-Pyrido[1,2-a]pyrimidin-4-one23443-10-9DTXSID703266484h-pyrido(1,2-a)pyrimidin-4-oneRefChem:297731DTXCID10277761691-445-5NYJWYCAHJRGKMI-UHFFFAOYSA-NPyrido[1,2-a]pyrimidin-4-oneMFCD07434961CHEMBL75200NSC607398
Show more names
CAS:23443-10-9pyridopyriMidin-4(4H)-one
SCHEMBL174735SCHEMBL1352624SCHEMBL2769675SCHEMBL5778393YAA44310BDBM50051352pyrido<1,2-a>pyriMidin-4(4H)-oneAKOS015991501
Database identifiers
- CAS
23443-10-9- PubChem CID
- 354785
- DTXSID
DTXSID70326648- ChEMBL
CHEMBL75200- EC Number
- 691-445-5
- Nikkaji
- J400.974F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 310
Experimental & physicochemical properties
LogP0.3
Physicochemical properties
- Melting point
- 127 °C · 127 °C
- Boiling point
- 276.4 · 276.4±23.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- powder
- pka
- 3.2 · 3.20±0.30(Predicted)
- color
- light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280
- Risk Statements
- 22 · 22
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
Loading…