Basic information
- CAS
6683-14-3- Standard SMILES
CC(C)C(CCCC[NH+](C)C)(C(=O)O)c1cccc2ccccc12.[Cl-]- InChIKey
QCCNMOSNNRDEKG-UHFFFAOYSA-N- Molecular formula
- C21H30ClNO2
- Average molar mass
- 363.9 g/mol
- Monoisotopic mass
- 363.1965069
Names & identifiers
- Preferred name
- 1-Naphthaleneacetic acid, alpha-(4-(dimethylamino)butyl)-alpha-isopropyl-, hydrochloride
- IUPAC
- (5-carboxy-6-methyl-5-naphthalen-1-ylheptyl)-dimethylazanium chloride
Names & synonyms
6683-14-31-Naphthaleneacetic acid, alpha-(4-(dimethylamino)butyl)-alpha-isopropyl-, hydrochlorideRefChem:1055948alpha-Isopropyl-alpha-(4-dimethylaminobutyl)-1-naphthylacetic acid hydrochlorideHexanoic acid, 6-(dimethylamino)-2-isopropyl-2-(1-naphthyl)-, hydrochloridealpha-(4-(Dimethylamino)butyl)-alpha-isopropyl-1-naphthaleneacetic acid hydrochloride
Database identifiers
- CAS
6683-14-3- PubChem CID
- 23152
Properties
Computed structural properties
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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