Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester, hydrochloride
Basic information
- CAS
108479-29-4- Standard SMILES
COc1cc(C(=O)OCCCN2CCOCC2)cc(OC)c1OC.Cl- InChIKey
GMHAGTDFPYMPGE-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO6
- Average molar mass
- 375.8 g/mol
- Monoisotopic mass
- 375.1448652
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester, hydrochloride
- IUPAC
- 3-morpholin-4-ylpropyl 3,4,5-trimethoxybenzoate;hydrochloride
Names & synonyms
108479-29-4BENZOIC ACID, 3,4,5-TRIMETHOXY-, 3-MORPHOLINOPROPYL ESTER, HYDROCHLORIDE3,4,5-Trimethoxybenzoic acid 3-morpholinopropyl ester hydrochloride4-Morpholinepropanol, 3,4,5-trimethoxybenzoate hydrochlorideDTXSID10148568Chlorowodorek estru gamma-N-morfolinopropylowego kwasu 3,4,5-trojmetylogalusowego [Polish]Chlorowodorek estru gamma-N-morfolinopropylowego kwasu 3,4,5-trojmetylogalusowegoRefChem:327005DTXCID40710593-(Morpholin-4-yl)propyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
108479-29-4- PubChem CID
- 60252
- DTXSID
DTXSID10148568
Properties
Computed structural properties
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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