Dicyclonon
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Basic information
- CAS
79260-71-2- Standard SMILES
CC1(C)CN2C(=O)CCC2(C)N(C(=O)C(Cl)Cl)C1- InChIKey
MHULQDZDXMHODA-UHFFFAOYSA-N- Molecular formula
- C12H18Cl2N2O2
- Average molar mass
- 293.19 g/mol
- Monoisotopic mass
- 292.0745332
Names & identifiers
- Preferred name
- Dicyclonon
- IUPAC
- 1-(2,2-dichloroacetyl)-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one
- English name
- 1-(dichloroacetyl)hexahydro-3,3,8a-trimethylpyrrolo[1,2-a]pyrimidin-6(2H)-one
- Molecular formula
- C12H18Cl2N2O2
- Molecular weight
- 293.19
Names & synonyms
Dicyclonon79260-71-2DiclononDicyclonon [ISO]UNII-QJ7F09L4WPQJ7F09L4WPEINECS 279-121-8LAB 145-138HLAB-145-138HBAS 145-138BAS-145-138HLAB-145138
Show more names
BAS-1451381-(dichloroacetyl)hexahydro-3,3,8a-trimethylpyrrolo[1,2-a]pyrimidin-6(2H)-onePyrrolo[1,2-a]pyrimidin-6(2H)-one, 1-(2,2-dichloroacetyl)hexahydro-3,3,8a-trimethyl-1-(2,2-dichloroacetyl)-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one
BAS-145-138LAB-145-1381-DICHLOROACETYL-HEXAHYDRO-3,3,8A-TRIMETHYLPYRROLO(1,2-A)PYRIMIDIN-6(2H)-ONEPyrrolo(1,2-a)pyrimidin-6(2H)-one, 1-(dichloroacetyl)hexahydro-3,3,8a-trimethyl-PYRROLO(1,2-A)PYRIMIDIN-6(2H)-ONE, 1-(2,2-DICHLOROACETYL)HEXAHYDRO-3,3,8A-TRIMETHYL-RefChem:133254279-121-885072-82-8
Database identifiers
- CAS
79260-71-2- PubChem CID
- 115203
- DTXSID
DTXSID30276155- UNII
- QJ7F09L4WP
- EC Number
- 279-121-8
- Nikkaji
- J248.072G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Boiling point
- 410.7 · 410.7±45.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- -0.66 · -0.66±0.60(Predicted)
- FDA UNII
- 7 F09L4WP · QJ7F09L4WP
Chemistry & industry
Applications
UsesDicyclonon is an active compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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