Basic information
- CAS
732304-31-3- Standard SMILES
CCc1ccc(C(=O)NC(C)(C)C(=O)O)cc1- InChIKey
PNBYMWYQEGQGSE-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- 2-[(4-Ethylbenzoyl)amino]-2-methylpropanoic acid
- IUPAC
- 2-[(4-ethylbenzoyl)amino]-2-methylpropanoic acid
- English name
- Alanine, N-(4-ethylbenzoyl)-2-methyl-
- Molecular formula
- C13H17NO3
- Molecular weight
- 235.28
Names & synonyms
AKOS010513470Alanine, N-(4-ethylbenzoyl)-2-methyl-
Database identifiers
- CAS
732304-31-3- PubChem CID
- 45122273
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 436.4 · 436.4±38.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- pka
- 4.02 · 4.02±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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