Basic information
- CAS
60439-44-3- Standard SMILES
COc1cc(C(=O)OC(C)CN2CCOCC2)cc(OC)c1OC- InChIKey
UJWFQGRSIXAHQU-UHFFFAOYSA-N- Molecular formula
- C17H25NO6
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.16818752
Names & identifiers
- Preferred name
- 2-Morpholino-1-methylethyl-3,4,5-trimethoxybenzoate
- IUPAC
- 1-morpholin-4-ylpropan-2-yl 3,4,5-trimethoxybenzoate
- English name
- 2-Morpholino-1-methylethyl=3,4,5-trimethoxybenzoate
- Molecular formula
- C17H25NO6
- Molecular weight
- 339.38
Names & synonyms
2-Morpholino-1-methylethyl-3,4,5-trimethoxybenzoate60439-44-3RefChem:1063869MLS0007563721-(morpholin-4-yl)propan-2-yl 3,4,5-trimethoxybenzoateAF 403BRN 0330480Oprea1_292596Oprea1_8469044-27-00-00121 (Beilstein Handbook Reference)CHEMBL1617254SCHEMBL11820670
Show more names
AF-4032-Morpholino-1-methylethyl=3,4,5-trimethoxybenzoateBenzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-(4-morpholinyl)ethyl ester
DTXSID401384356HMS2884A14NSC169409STK087042AKOS000650152AKOS022078128NSC 169409NSC-169409
Database identifiers
- CAS
60439-44-3- PubChem CID
- 43265
- DTXSID
DTXSID401384356- ChEMBL
CHEMBL1617254- Nikkaji
- J87.855C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 423 · 423.0±33.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 6.15 · 6.15±0.10(Predicted)
Chemistry & industry
Suppliers1 total
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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