Basic information
- CAS
887582-84-5- Standard SMILES
O=c1c(CCCl)cnc2ccccn12- InChIKey
QCYFMWQTOLAYBC-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O
- Average molar mass
- 208.64 g/mol
- Monoisotopic mass
- 208.0403406
Names & identifiers
- Preferred name
- 3-(2-chloroethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
- IUPAC
- 3-(2-chloroethyl)pyrido[1,2-a]pyrimidin-4-one
- English name
- 3-(2-chloroethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
- Molecular formula
- C10H9ClN2O
- Molecular weight
- 208.64
Names & synonyms
3-(2-chloroethyl)-4H-pyrido[1,2-a]pyrimidin-4-one887582-84-53-(2-chloroethyl)pyrido[1,2-a]pyrimidin-4-one4H-Pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-DTXSID20355867DB-3037554H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-3-(2-chloroethyl)-4H-pyrido[1,2-a]pyrimidin-4-one ISO 9001：2015 REACH
Database identifiers
- CAS
887582-84-5- PubChem CID
- 817871
- DTXSID
DTXSID20355867- Nikkaji
- J2.482.971E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Melting point
- 109 · 109-111 ºC
- Density
- 1.31 · 1.31
Chemistry & industry
Suppliers2 total
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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