Basic information
- CAS
6394-76-9- Standard SMILES
C[NH+](C)CCCC(CCC[NH+](C)C)(C(=O)O)c1cccc2ccccc12.[Cl-].[Cl-]- InChIKey
BKZBRBRFMRWGNZ-UHFFFAOYSA-N- Molecular formula
- C22H34Cl2N2O2
- Average molar mass
- 429.4 g/mol
- Monoisotopic mass
- 428.1997337
Names & identifiers
- Preferred name
- 1-Naphthaleneacetic acid, alpha,alpha-bis(3-(dimethylamino)propyl)-, dihydrochloride
- IUPAC
- [4-carboxy-7-(dimethylazaniumyl)-4-naphthalen-1-ylheptyl]-dimethylazanium dichloride
Names & synonyms
1-Naphthaleneacetic acid, alpha,alpha-bis(3-(dimethylamino)propyl)-, dihydrochloride6394-76-9alpha,alpha-Bis(3-(dimethylamino)propyl)-1-naphthaleneacetic acid dihydrochlorideRefChem:232206
Database identifiers
- CAS
6394-76-9- PubChem CID
- 22899
Properties
Computed structural properties
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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