Basic information
- CAS
69781-78-8- Standard SMILES
CCCCCCC(C)[NH2+]CCOC(=O)c1ccc(N)cc1.O=C([O-])CO- InChIKey
AJHHXKCZEWPWGU-UHFFFAOYSA-N- Molecular formula
- C19H32N2O5
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.23112213
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, glycolate
- IUPAC
- 2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium;2-hydroxyacetate
Names & synonyms
p-Aminobenzoic acid 2-(1-methylheptylamino)ethyl ester glycolateBENZOIC ACID, p-AMINO-, 2-(1-METHYLHEPTYLAMINO)ETHYL ESTER, GLYCOLATE69781-78-8RefChem:327895
Database identifiers
- CAS
69781-78-8- PubChem CID
- 50835
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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