Basic information
- CAS
100482-38-0- Standard SMILES
CCCNc1ccc(C(=O)OCC(O)C[NH+]2CCOCC2)cc1.[Cl-]- InChIKey
YNRIQKBNEFWKTM-UHFFFAOYSA-N- Molecular formula
- C17H27ClN2O4
- Average molar mass
- 358.9 g/mol
- Monoisotopic mass
- 358.165935
Names & identifiers
- Preferred name
- 2-Hydroxy-3-(morpholin-4-yl)propyl 4-(propylamino)benzoate--hydrogen chloride (1/1)
- IUPAC
- (2-hydroxy-3-morpholin-4-ium-4-ylpropyl) 4-(propylamino)benzoate chloride
Names & synonyms
100482-38-0DTXSID209055282-Hydroxy-3-(morpholin-4-yl)propyl 4-(propylamino)benzoate--hydrogen chloride (1/1)RefChem:1063356DTXCID401334632Benzoic acid, p-(propylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride2-Hydroxy-3-morpholinopropyl p-(propylamino)benzoate hydrochloride(2-hydroxy-3-morpholin-4-ium-4-ylpropyl) 4-(propylamino)benzoate;chloride
Database identifiers
- CAS
100482-38-0- PubChem CID
- 57893
Properties
Computed structural properties
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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