Basic information
- CAS
112997-57-6- Standard SMILES
C1CC[NH2+]CC1.O=C([O-])CCC(=O)Nc1ccccc1- InChIKey
QMFWLODZVBOMCY-UHFFFAOYSA-N- Molecular formula
- C15H22N2O3
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.16304257
Names & identifiers
- Preferred name
- 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1)
- IUPAC
- 4-anilino-4-oxobutanoate;piperidin-1-ium
Names & synonyms
112997-57-6RefChem:1070775DTXCID0013498674-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1)DTXSID50920966
Database identifiers
- CAS
112997-57-6- PubChem CID
- 60577
Properties
Computed structural properties
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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