1-Naphthaleneacetic acid, alpha,alpha-bis(2-(dimethylamino)ethyl)-, dihydrochloride
Basic information
- CAS
6394-74-7- Standard SMILES
C[NH+](C)CCC(CC[NH+](C)C)(C(=O)O)c1cccc2ccccc12.[Cl-].[Cl-]- InChIKey
SLBFYWBQDNKQFQ-UHFFFAOYSA-N- Molecular formula
- C20H30Cl2N2O2
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 400.1684336
Names & identifiers
- Preferred name
- 1-Naphthaleneacetic acid, alpha,alpha-bis(2-(dimethylamino)ethyl)-, dihydrochloride
- IUPAC
- [3-carboxy-5-(dimethylazaniumyl)-3-naphthalen-1-ylpentyl]-dimethylazanium dichloride
Names & synonyms
1-Naphthaleneacetic acid, alpha,alpha-bis(2-(dimethylamino)ethyl)-, dihydrochloride6394-74-7alpha,alpha-Bis(2-(dimethylamino)ethyl)-1-naphthaleneacetic acid dihydrochlorideRefChem:232203
Database identifiers
- CAS
6394-74-7- PubChem CID
- 22895
Properties
Computed structural properties
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 396
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Compound notes
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