1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-5-(1,1-dimethylpentyl)-7-methyl-, hydrochloride
Basic information
- CAS
20233-00-5- Standard SMILES
CCCCC(C)(C)C1[NH2+]C(C)Cc2cc3c(cc21)OCO3.[Cl-]- InChIKey
YNUIEUHWXJDOPK-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO2
- Average molar mass
- 325.9 g/mol
- Monoisotopic mass
- 325.1808568
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-5-(1,1-dimethylpentyl)-7-methyl-, hydrochloride
- IUPAC
- 7-methyl-5-(2-methylhexan-2-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Names & synonyms
20233-00-51,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-5-(1,1-dimethylpentyl)-7-methyl-, hydrochloride5,6,7,8-Tetrahydro-5-(1,1-dimethylpentyl)-7-methyl-1,3-dioxolo(4,5-g)isoquinoline HClRefChem:219018
Database identifiers
- CAS
20233-00-5- PubChem CID
- 30074
Properties
Computed structural properties
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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