2-(Naphthalen-1-yl)-2-(propan-2-yl)-5-(pyrrolidin-1-yl)pentanoic acid--hydrogen chloride (1/1)
Basic information
- CAS
6733-68-2- Standard SMILES
CC(C)C(CCC[NH+]1CCCC1)(C(=O)O)c1cccc2ccccc12.[Cl-]- InChIKey
JYUOAWRAIKAGRF-UHFFFAOYSA-N- Molecular formula
- C22H30ClNO2
- Average molar mass
- 375.9 g/mol
- Monoisotopic mass
- 375.1965069
Names & identifiers
- Preferred name
- 2-(Naphthalen-1-yl)-2-(propan-2-yl)-5-(pyrrolidin-1-yl)pentanoic acid--hydrogen chloride (1/1)
- IUPAC
- 2-naphthalen-1-yl-2-propan-2-yl-5-pyrrolidin-1-ium-1-ylpentanoic acid chloride
Names & synonyms
6733-68-2DTXSID009865922-(Naphthalen-1-yl)-2-(propan-2-yl)-5-(pyrrolidin-1-yl)pentanoic acid--hydrogen chloride (1/1)RefChem:1061937DTXCID9014137741-Naphthaleneacetic acid, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-, hydrochloridealpha-Isopropyl-alpha-(3-pyrrolidinopropyl)-1-naphthaleneacetic acid hydrochloride
Database identifiers
- CAS
6733-68-2- PubChem CID
- 23185
Properties
Computed structural properties
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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