Basic information
- CAS
69815-31-2- Standard SMILES
CCC(COC(=O)c1ccc(N)cc1)[NH2+]C(CC(C)C)CC(C)C.O=C([O-])CO- InChIKey
MWTJISKZKIBTOR-UHFFFAOYSA-N- Molecular formula
- C22H38N2O5
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.27807232
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 2-(1-isobutyl-3-methylbutylamino)butyl ester, glycolate
- IUPAC
- 1-(4-aminobenzoyl)oxybutan-2-yl-(2,6-dimethylheptan-4-yl)azanium;2-hydroxyacetate
Names & synonyms
BENZOIC ACID, p-AMINO-, 2-(1-ISOBUTYL-3-METHYLBUTYLAMINO)BUTYL ESTER, GLYCOLATE69815-31-2RefChem:1079281p-Aminobenzoic acid 2-(1-isobutyl-3-methylbutylamino)butyl ester glycolateNSC 119624
Database identifiers
- CAS
69815-31-2- PubChem CID
- 50898
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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