Basic information
- CAS
100311-24-8- Standard SMILES
CCCCNc1ccc(C(=O)OCC(O)C[NH+]2CCOCC2)cc1.[Cl-]- InChIKey
DLBILTOELYXFIN-UHFFFAOYSA-N- Molecular formula
- C18H29ClN2O4
- Average molar mass
- 372.9 g/mol
- Monoisotopic mass
- 372.1815851
Names & identifiers
- Preferred name
- Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride
- IUPAC
- (2-hydroxy-3-morpholin-4-ium-4-ylpropyl) 4-(butylamino)benzoate chloride
Names & synonyms
100311-24-8BENZOIC ACID, p-(BUTYLAMINO)-, 2-HYDROXY-3-MORPHOLINOPROPYL ESTER, HYDROCHLORIDERefChem:10792422-Hydroxy-3-morpholinopropyl p-(butylamino)benzoate hydrochloride
Database identifiers
- CAS
100311-24-8- PubChem CID
- 57752
Properties
Computed structural properties
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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