Basic information
- CAS
69781-63-1- Standard SMILES
CC(C[NH2+]C1CCCCC1)OC(=O)c1ccc(N)cc1.O=C([O-])CO- InChIKey
MRPUZBBHGPNPIO-UHFFFAOYSA-N- Molecular formula
- C18H28N2O5
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.199822
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, (2-(cyclohexylamino)-1-methyl)ethyl ester, glycolate
- IUPAC
- 2-(4-aminobenzoyl)oxypropyl-cyclohexylazanium;2-hydroxyacetate
Names & synonyms
BENZOIC ACID, p-AMINO-, (2-(CYCLOHEXYLAMINO)-1-METHYL)ETHYL ESTER, GLYCOLATE69781-63-1RefChem:1079266p-Aminobenzoic acid (2-(cyclohexylamino)-1-methyl)ethyl ester glycolateNSC 125430NSC 126467
Database identifiers
- CAS
69781-63-1- PubChem CID
- 50815
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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