Basic information
- CAS
69781-39-1- Standard SMILES
CC(C)CC(C)[NH2+]CCOC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
SXGDDFKHOJXJPL-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-((1,3-dimethylbutyl)amino)ethyl ester, hydrochloride
- IUPAC
- 2-(4-aminobenzoyl)oxyethyl-(4-methylpentan-2-yl)azanium chloride
Names & synonyms
BENZOIC ACID, p-AMINO-, 2-((1,3-DIMETHYLBUTYL)AMINO)ETHYL ESTER, HYDROCHLORIDE69781-39-1RefChem:1079271p-Aminobenzoic acid 2-((1,3-dimethylbutyl)amino)ethyl ester hydrochlorideNSC 120994
Database identifiers
- CAS
69781-39-1- PubChem CID
- 50776
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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