Basic information
- CAS
63977-62-8- Standard SMILES
CC[N+](C)(CC)c1ccc2c(C)cc(=O)oc2c1.[I-]- InChIKey
IFXDPVZRMJLBPN-UHFFFAOYSA-M- Molecular formula
- C15H20INO2
- Average molar mass
- 373.23 g/mol
- Monoisotopic mass
- 373.05388
Names & identifiers
- Preferred name
- Ammonium, diethylmethyl(4-methyl-2-oxo-2H,1-benzopyran-7-yl)-, iodide
- IUPAC
- diethyl-methyl-(4-methyl-2-oxochromen-7-yl)azanium iodide
Names & synonyms
63977-62-8AMMONIUM, DIETHYLMETHYL(4-METHYL-2-OXO-2H,1-BENZOPYRAN-7-YL)-, IODIDERefChem:1076874Diethylmethyl(4-methyl-2-oxo-2H-1-benzopyran-7-yl)ammonium iodideMethiodide of 4-methyl-7-diethylaminocoumarinDTXSID60981427N,N-Diethyl-N,4-dimethyl-2-oxo-2H-1-benzopyran-7-aminium iodide
Database identifiers
- CAS
63977-62-8- PubChem CID
- 45811
- DTXSID
DTXSID60981427
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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