Basic information
- CAS
97555-45-8- Standard SMILES
CCCC[NH2+]C(C)C(=O)Nc1ccc(C(=O)OCC)cc1.[Cl-]- InChIKey
VKLYBWGNFDJEGX-UHFFFAOYSA-N- Molecular formula
- C16H25ClN2O3
- Average molar mass
- 328.83 g/mol
- Monoisotopic mass
- 328.1553704
Names & identifiers
- Preferred name
- Benzoic acid, p-(2-(butylamino)propionamido)-, ethyl ester, hydrochloride
- IUPAC
- butyl-[1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl]azanium chloride
Names & synonyms
Ethyl 4-(2-n-butylaminoacetylamino)benzoate hydrochloride97555-45-8p-(2-(Butylamino)propionamido)benzoic acid ethyl ester hydrochlorideBENZOIC ACID, p-(2-(BUTYLAMINO)PROPIONAMIDO)-, ETHYL ESTER, HYDROCHLORIDERefChem:327807butyl-[1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl]azanium chlorideEthyl 4-(2-n-butylaminoacetylamino)benzoate hydrochloride, p-(2-(Butylamino)propionamido)benzoic acid ethyl ester hydrochloride, BENZOIC ACID, p-(2-(BUTYLAMINO)PROPIONAMIDO)-, ETHYL ESTER, HYDROCHLORIDE, SA6, AC1L1MMP, LS-36333, butyl-[1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl]azanium chloride, 97555-45-8
Database identifiers
- CAS
97555-45-8- PubChem CID
- 57262
Properties
Computed structural properties
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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