2-Hydroxy-3-(propylamino)propyl 4-(propylamino)benzoate--hydrogen chloride (1/1)
Basic information
- CAS
100482-40-4- Standard SMILES
CCCNc1ccc(C(=O)OCC(O)C[NH2+]CCC)cc1.[Cl-]- InChIKey
UCDTWBJKPRGBCE-UHFFFAOYSA-N- Molecular formula
- C16H27ClN2O3
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.1710204
Names & identifiers
- Preferred name
- 2-Hydroxy-3-(propylamino)propyl 4-(propylamino)benzoate--hydrogen chloride (1/1)
- IUPAC
- [2-hydroxy-3-[4-(propylamino)benzoyl]oxypropyl]-propylazanium chloride
Names & synonyms
100482-40-4DTXSID909055302-Hydroxy-3-(propylamino)propyl 4-(propylamino)benzoate--hydrogen chloride (1/1)RefChem:1063359DTXCID801334634Benzoic acid, p-(propylamino)-, 2-hydroxy-3-(propylamino)propyl ester, hydrochloride2-Hydroxy-3-(propylamino)propyl p-(propylamino)benzoate hydrochloride[2-hydroxy-3-[4-(propylamino)benzoyl]oxypropyl]-propylazanium;chloride
Database identifiers
- CAS
100482-40-4- PubChem CID
- 57897
Properties
Computed structural properties
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 279
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…