Basic information
- CAS
69815-33-4- Standard SMILES
CC(C)CC(CC(C)C)[NH2+]C(C)COC(=O)c1ccc(N)cc1.O=C([O-])CO- InChIKey
JHCJSHKRCXOAIA-UHFFFAOYSA-N- Molecular formula
- C21H36N2O5
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.26242225
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 2-((1-isobutyl-3-methylbutyl)amino)propyl ester, glycolate
- IUPAC
- 1-(4-aminobenzoyl)oxypropan-2-yl-(2,6-dimethylheptan-4-yl)azanium;2-hydroxyacetate
Names & synonyms
Benzoic acid, p-amino-, 2-((1-isobutyl-3-methylbutyl)amino)propyl ester, glycolate1-(4-(2,6-Dimethylheptyl)amino)-2-propanol p-aminobenzoate glycolatep-Aminobenzoic acid 2-((1-isobutyl-3-methylbutyl)amino)propyl ester glycolate69815-33-4RefChem:327883
Database identifiers
- CAS
69815-33-4- PubChem CID
- 50899
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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