Benzoic acid, p-amino-, 2-((1-methylbutyl)amino)ethyl ester, hydrochloride
Basic information
- CAS
69781-18-6- Standard SMILES
CCCC(C)[NH2+]CCOC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
AQCDDESVTSOURA-UHFFFAOYSA-N- Molecular formula
- C14H23ClN2O2
- Average molar mass
- 286.8 g/mol
- Monoisotopic mass
- 286.1448057
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 2-((1-methylbutyl)amino)ethyl ester, hydrochloride
- IUPAC
- 2-(4-aminobenzoyl)oxyethyl-pentan-2-ylazanium chloride
Names & synonyms
BENZOIC ACID, p-AMINO-, 2-((1-METHYLBUTYL)AMINO)ETHYL ESTER, HYDROCHLORIDE69781-18-6RefChem:1079274p-Aminobenzoic acid 2-((1-methylbutyl)amino)ethyl ester hydrochlorideNSC 120969
Database identifiers
- CAS
69781-18-6- PubChem CID
- 50741
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 238
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Compound notes
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