Basic information
- CAS
17105-28-1- Standard SMILES
Cc1cc2cc3c(cc2c(CC(C)(C)C)[nH+]1)OCO3.[Cl-]- InChIKey
FIBFDLFGHAMWEE-UHFFFAOYSA-N- Molecular formula
- C16H20ClNO2
- Average molar mass
- 293.79 g/mol
- Monoisotopic mass
- 293.1182566
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-neopentyl-, hydrochloride
- IUPAC
- 5-(2,2-dimethylpropyl)-7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Names & synonyms
17105-28-11-Neopentyl-3-methyl-6,7-methylenedioxyisoquinoline hydrochloride7-Methyl-5-neopentyl-1,3-dioxolo(4,5-g)isoquinoline hydrochloride1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 7-METHYL-5-NEOPENTYL-, HYDROCHLORIDERefChem:219039
Database identifiers
- CAS
17105-28-1- PubChem CID
- 28289
Properties
Computed structural properties
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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