1-Naphthaleneacetic acid, alpha-sec-butyl-alpha-(2-(dimethylamino)ethyl)-, hydrochloride

HCID 23145

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Basic information

CAS: 6680-30-4
Standard SMILES: CCC(C)C(CC[NH+](C)C)(C(=O)O)c1cccc2ccccc12.[Cl-]
InChIKey: BEXXJRJGDYLPNM-UHFFFAOYSA-N
Molecular formula: C20H28ClNO2
Average molar mass: 349.9 g/mol
Monoisotopic mass: 349.1808568

Names & identifiers

Preferred name: 1-Naphthaleneacetic acid, alpha-sec-butyl-alpha-(2-(dimethylamino)ethyl)-, hydrochloride
IUPAC: (3-carboxy-4-methyl-3-naphthalen-1-ylhexyl)-dimethylazanium chloride

Names & synonyms

1-Naphthaleneacetic acid, alpha-sec-butyl-alpha-(2-(dimethylamino)ethyl)-, hydrochloridealpha-sec-Butyl-alpha-(2-(dimethylamino)ethyl)-1-naphthaleneacetic acid hydrochloride6680-30-4RefChem:232211

Database identifiers

CAS: 6680-30-4
PubChem CID: 23145

Properties

Computed structural properties

Topological polar surface area: 41.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 395

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