6-Chlorospiro[chroman-2,4'-piperidin]-4-one
Basic information
- CAS
792895-79-5- Standard SMILES
O=C1CC2(CCNCC2)Oc2ccc(Cl)cc21- InChIKey
MDIJHHXOAVQVCV-UHFFFAOYSA-N- Molecular formula
- C13H14ClNO2
- Average molar mass
- 251.71 g/mol
- Monoisotopic mass
- 251.0713064
Names & identifiers
- Preferred name
- 6-Chlorospiro[chroman-2,4'-piperidin]-4-one
- IUPAC
- 6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
- English name
- Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one, 6-chloro-
- Molecular formula
- C13H14ClNO2
- Molecular weight
- 251.71
Names & synonyms
6-Chlorospiro[chroman-2,4'-piperidin]-4-one792895-79-56-chlorospiro[chromene-2,4'-piperidin]-4(3H)-one6-Chlorospiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one--hydrogen chloride (1/1)6-chlorospiro[3H-chromene-2,4'-piperidine]-4-oneSCHEMBL4255249DTXSID505864656-CHLORO-3,4-DIHYDROSPIRO[1-BENZOPYRAN-2,4'-PIPERIDIN]-4-ONESTK694788AKOS002674446CCG-210207ASN 10022834
Show more names
OTAVA-BB 7020610174Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one, 6-chloro-
DB-359534ST41465166-Chlorospiro[chroman-2,4-piperidin]-4-one6-chlorospiro[chromane-2,4'-piperidin]-4-oneD787006-chlorospiro[chromane-2,4'-piperidine]-4-oneSR-01000376116SR-01000376116-1
Database identifiers
- CAS
792895-79-5- PubChem CID
- 16643153
- DTXSID
DTXSID50586465
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 424.1 · 424.1±45.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.04 · 10.04±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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