Basic information
- CAS
6733-67-1- Standard SMILES
CC(C)C(CCC[NH+](C)C)(C(=O)O)c1cccc2ccccc12.[Cl-]- InChIKey
QCLRJCJGNAQPSJ-UHFFFAOYSA-N- Molecular formula
- C20H28ClNO2
- Average molar mass
- 349.9 g/mol
- Monoisotopic mass
- 349.1808568
Names & identifiers
- Preferred name
- 5-(Dimethylamino)-2-(naphthalen-1-yl)-2-(propan-2-yl)pentanoic acid--hydrogen chloride (1/1)
- IUPAC
- (4-carboxy-5-methyl-4-naphthalen-1-ylhexyl)-dimethylazanium chloride
Names & synonyms
6733-67-1DTXSID409865915-(Dimethylamino)-2-(naphthalen-1-yl)-2-(propan-2-yl)pentanoic acid--hydrogen chloride (1/1)RefChem:1072529DTXCID2014137731-Naphthaleneacetic acid, alpha-(3-(dimethylamino)propyl)-alpha-isopropyl-, hydrochloridealpha-(3-(Dimethylamino)propyl)-alpha-isopropyl-1-naphthaleneacetic acid hydrochloride
Database identifiers
- CAS
6733-67-1- PubChem CID
- 23183
Properties
Computed structural properties
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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