Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1)
Basic information
- CAS
112997-59-8- Standard SMILES
O=C([O-])CCC(=O)Nc1ccccc1.[NH3+]CCO- InChIKey
IKFLPIQLMLQJBF-UHFFFAOYSA-N- Molecular formula
- C12H18N2O4
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.12665706
Names & identifiers
- Preferred name
- Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1)
- IUPAC
- 4-anilino-4-oxobutanoate;2-hydroxyethylazanium
Names & synonyms
112997-59-8DTXSID50150246RefChem:330918DTXCID90727372-Hydroxyethan-1-aminium 4-anilino-4-oxobutanoate
Database identifiers
- CAS
112997-59-8- PubChem CID
- 60579
- DTXSID
DTXSID50150246
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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