Basic information
- CAS
316162-00-2- Standard SMILES
C[N+]1=CN(c2ccc(Cl)cc2)CCC1.[I-]- InChIKey
KKXYHDBCUWUQFM-UHFFFAOYSA-M- Molecular formula
- C11H14ClIN2
- Average molar mass
- 336.6 g/mol
- Monoisotopic mass
- 335.98902
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-1-methyl-3,4,5,6-tetrahydropyrimidin-1-ium iodide
- IUPAC
- 1-(4-chlorophenyl)-3-methyl-5,6-dihydro-4H-pyrimidin-3-ium iodide
Names & synonyms
316162-00-2DTXSID907849833-(4-Chlorophenyl)-1-methyl-3,4,5,6-tetrahydropyrimidin-1-ium iodideRefChem:274475DTXCID20735726
Database identifiers
- CAS
316162-00-2- PubChem CID
- 71361237
- DTXSID
DTXSID90784983
Properties
Computed structural properties
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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