Basic information
- CAS
71134-92-4- Standard SMILES
CCCC(=O)Nc1ccc(C(=O)OCC)cc1- InChIKey
XBMADEYWGIHEIH-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- Ethyl 4-(butanoylamino)benzoate
- IUPAC
- ethyl 4-(butanoylamino)benzoate
- English name
- Ethyl 4-butyramidobenzoate
- Molecular formula
- C13H17NO3
- Molecular weight
- 235.28
Names & synonyms
ethyl 4-(butanoylamino)benzoate71134-92-4DTXSID90308426RefChem:343751DTXCID20259553ethyl 4-(butyrylamino)benzoateZINC38436ethyl 4-butanamidobenzoateNSC203930Ethyl 4-butyramidobenzoateOprea1_196108Oprea1_390566
Show more names
Benzoic acid, 4-[(1-oxobutyl)amino]-, ethyl ester
ETHYL4BUTANAMIDOBENZOATEETHYL4BUTYRAMIDOBENZOATESCHEMBL9843022ETHYL4(BUTYRYLAMINO)BENZOATECCCC(=O)Nc1ccc(cc1)C(=O)OCCETHYL4(BUTANOYLAMINO)BENZOATEMFCD00095400STK086556
Database identifiers
- CAS
71134-92-4- PubChem CID
- 306252
- DTXSID
DTXSID90308426- Nikkaji
- J2.598.751I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
ARONIS[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
VITAS-BB—
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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