Basic information
- CAS
69781-68-6- Standard SMILES
CCC(COC(=O)c1ccc(N)cc1)[NH2+]C1CCCCC1.O=C([O-])CO- InChIKey
SNKWYAUVNZVMNG-UHFFFAOYSA-N- Molecular formula
- C19H30N2O5
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.21547206
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 2-(cyclohexylamino)butyl ester, glycolate
- IUPAC
- 1-(4-aminobenzoyl)oxybutan-2-yl-cyclohexylazanium;2-hydroxyacetate
Names & synonyms
BENZOIC ACID, p-AMINO-, 2-(CYCLOHEXYLAMINO)BUTYL ESTER, GLYCOLATE69781-68-6RefChem:1079286p-Aminobenzoic acid 2-(cyclohexylamino)butyl ester glycolateNSC 126468
Database identifiers
- CAS
69781-68-6- PubChem CID
- 50822
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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