Imidazo[1,2-a]pyrimidine-3-carboxaldehyde
Basic information
- CAS
106012-56-0- Standard SMILES
O=Cc1cnc2ncccn12- InChIKey
AGFLIUIEUMXSEY-UHFFFAOYSA-N- Molecular formula
- C7H5N3O
- Average molar mass
- 147.13 g/mol
- Monoisotopic mass
- 147.04326179
Names & identifiers
- Preferred name
- Imidazo[1,2-a]pyrimidine-3-carboxaldehyde
- IUPAC
- imidazo[1,2-a]pyrimidine-3-carbaldehyde
- English name
- Imidazo[1,2-a]pyrimidine-3-carbaldehyde
- Molecular formula
- C7H5N3O
- Molecular weight
- 147.13
Names & synonyms
106012-56-0Imidazo[1,2-a]pyrimidine-3-carboxaldehydeImidazo(1,2-a)pyrimidine-3-carboxaldehydeRefChem:348607imidazo[1,2-a]pyrimidine-3-carbaldehydeMFCD09027563SCHEMBL3151839DTXSID003280543-Formylimidazo[1,2-a]pyrimidineAB49199CS-0047682EN300-71912
Show more names
Imidazo[1,2-a]pyrimidine-3-carboxaldehyde (9CI)imidazolebenzo[1,2-a]pyrimidine-3-methylaldehyde7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid
Z1079126304NSC720775FT-0695047Imidazo[1,2-a]pyrimidine-A801355GEA01256AKOS006238588NSC-720775
Database identifiers
- CAS
106012-56-0- PubChem CID
- 404535
- DTXSID
DTXSID00328054
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 169 · 169-171 °C
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 2.85 · 2.85±0.30(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C7H5N3O/c11-5-6-4-9-7-8-2-1-3-10(6)7/h1-5H
- InChIKey
- AGFLIUIEUMXSEY-UHFFFAOYSA-N
- SMILES
- C12=NC=C(C=O)N1C=CC=N2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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