AF-398
Basic information
- CAS
60439-45-4- Standard SMILES
COc1cc(C(=O)OC(C)CCN2CCOCC2)cc(OC)c1OC- InChIKey
HGLBNWHEUMEGLM-UHFFFAOYSA-N- Molecular formula
- C18H27NO6
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.18383758
Names & identifiers
- Preferred name
- AF-398
- IUPAC
- 4-morpholin-4-ylbutan-2-yl 3,4,5-trimethoxybenzoate
- English name
- 1-Methyl-3-morpholinopropyl=3,4,5-trimethoxybenzoate
- Molecular formula
- C18H27NO6
- Molecular weight
- 353.41
Names & synonyms
60439-45-4AF-398RefChem:10762054-morpholin-4-ylbutan-2-yl 3,4,5-trimethoxybenzoateBENZOIC ACID, 3,4,5-TRIMETHOXY-, 1-METHYL-3-MORPHOLINOPROPYL ESTER1-Methyl-3-morpholinopropyl=3,4,5-trimethoxybenzoateAF 398BRN 03358854-27-00-00146 (Beilstein Handbook Reference)orb16987164-(morpholin-4-yl)butan-2-yl 3,4,5-trimethoxybenzoateDTXSID70975837
Show more names
AF398Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-3-(4-morpholinyl)propyl ester
AKOS040750162T29684
Database identifiers
- CAS
60439-45-4- PubChem CID
- 43266
- DTXSID
DTXSID70975837- Nikkaji
- J87.854E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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