Basic information
- CAS
753407-04-4- Standard SMILES
CC(C)OC(=O)CCC(=O)c1ccc(N)cc1- InChIKey
NMZHMAPEDXIGEK-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- Propan-2-yl 4-(4-aminophenyl)-4-oxobutanoate
- IUPAC
- propan-2-yl 4-(4-aminophenyl)-4-oxobutanoate
Names & synonyms
propan-2-yl 4-(4-aminophenyl)-4-oxobutanoateJ7Q5K8U2HQIsopropyl 3-(4-aminobenzoyl)propionate1-Methylethyl 4-amino-gamma-oxobenzenebutanoateBenzenebutanoic acid, 4-amino-gamma-oxo-, 1-methylethyl ester753407-04-4
Database identifiers
- CAS
753407-04-4- PubChem CID
- 3022643
- UNII
- J7Q5K8U2HQ
- Nikkaji
- J315.517J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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