Ethyl (1)-alpha-aminobenzenebutyrate
Basic information
- CAS
46460-24-6- Standard SMILES
CCc1ccccc1CCCC(=O)ON- InChIKey
ICGMXHIYPMKNNP-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Ethyl (1)-alpha-aminobenzenebutyrate
- IUPAC
- amino 4-(2-ethylphenyl)butanoate
Names & synonyms
Ethyl (1)-alpha-aminobenzenebutyrateEINECS 256-270-7DTXSID70196848NS000316081-(Aminooxy)-4-(2-ethylphenyl)butan-1-one
Database identifiers
- CAS
46460-24-6- PubChem CID
- 6452056
- DTXSID
DTXSID70196848
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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