Basic information
- CAS
4172-63-8- Standard SMILES
CCCNc1ccc(C(=O)OCC(O)C[NH+](C)C)cc1.[Cl-]- InChIKey
HMJCMMTUKIJJAL-UHFFFAOYSA-N- Molecular formula
- C15H25ClN2O3
- Average molar mass
- 316.82 g/mol
- Monoisotopic mass
- 316.1553704
Names & identifiers
- Preferred name
- Cornecain
- IUPAC
- [2-hydroxy-3-[4-(propylamino)benzoyl]oxypropyl]-dimethylazanium chloride
Names & synonyms
Cornecain4172-63-8RefChem:10822203-(Dimethylamino)-2-hydroxypropyl p-(propylamino)benzoate hydrochloride4-Propylamino-benzoesaeure-gamma-dimethylamino-beta-hydroxy-propylester hydrochlorideBenzoic acid, p-(propylamino)-, 3-(dimethylamino)-2-hydroxypropyl ester, hydrochloride
Database identifiers
- CAS
4172-63-8- PubChem CID
- 20141
Properties
Computed structural properties
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…