Basic information
- CAS
5786-60-7- Standard SMILES
CCC(CCN1CCOCC1)(C(=O)O)c1cccc2ccccc12.Cl- InChIKey
RXQFVWYQVZVQDR-UHFFFAOYSA-N- Molecular formula
- C20H26ClNO3
- Average molar mass
- 363.9 g/mol
- Monoisotopic mass
- 363.1601214
Names & identifiers
- Preferred name
- 4-Morpholinebutanoic acid, alpha-ethyl-alpha-1-naphthalenyl-, hydrochloride (1:1)
- IUPAC
- 2-ethyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanoic acid;hydrochloride
Names & synonyms
5786-60-7RefChem:10712374-Morpholinebutanoic acid, alpha-ethyl-alpha-1-naphthalenyl-, hydrochloride (1:1)alpha-Ethyl-alpha-1-naphthyl-4-morpholinebutyric acid hydrochloride4-Morpholinebutyric acid, alpha-ethyl-alpha-1-naphthyl-, hydrochloridealpha-Ethyl-alpha-2-morpholinoethyl-1-naphthylacetic acid hydrochlorideDTXSID409734462-Ethyl-4-(morpholin-4-yl)-2-(naphthalen-1-yl)butanoic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
5786-60-7- PubChem CID
- 201295
- DTXSID
DTXSID40973446
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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