Benzoic acid, p-amino-, (2-(isobutylamino)-2-methyl)propyl ester, hydrochloride
Basic information
- CAS
69781-41-5- Standard SMILES
CC(C)C[NH2+]C(C)(C)COC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
XJWSIERNFMHZIF-UHFFFAOYSA-N- Molecular formula
- C15H25ClN2O2
- Average molar mass
- 300.82 g/mol
- Monoisotopic mass
- 300.1604557
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, (2-(isobutylamino)-2-methyl)propyl ester, hydrochloride
- IUPAC
- [1-(4-aminobenzoyl)oxy-2-methylpropan-2-yl]-(2-methylpropyl)azanium chloride
Names & synonyms
p-Aminobenzoic acid (2-(isobutylamino)-2-methyl)propyl ester hydrochlorideBENZOIC ACID, p-AMINO-, (2-(ISOBUTYLAMINO)-2-METHYL)PROPYL ESTER, HYDROCHLORIDE69781-41-5RefChem:327863
Database identifiers
- CAS
69781-41-5- PubChem CID
- 50780
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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