Benzoic acid, p-amino-, (2-(isopentylamino)-1-methyl)ethyl ester, hydrochloride
Basic information
- CAS
69781-23-3- Standard SMILES
CC(C)CC[NH2+]CC(C)OC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
LNAYKNYQNYFHCR-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-(isopentylamino)-1-methyl)ethyl ester, hydrochloride
- IUPAC
- 2-(4-aminobenzoyl)oxypropyl-(3-methylbutyl)azanium chloride
Names & synonyms
p-Aminobenzoic acid (2-(isopentylamino)-1-methyl)ethyl ester hydrochlorideBENZOIC ACID, p-AMINO-, (2-(ISOPENTYLAMINO)-1-METHYL)ETHYL ESTER, HYDROCHLORIDE69781-23-3RefChem:327864
Database identifiers
- CAS
69781-23-3- PubChem CID
- 50748
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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