Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester
Basic information
- CAS
60439-46-5- Standard SMILES
COc1cc(C(=O)OCCCN2CCOCC2)cc(OC)c1OC- InChIKey
VXOBLNCPAAJICO-UHFFFAOYSA-N- Molecular formula
- C17H25NO6
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.16818752
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester
- IUPAC
- 3-morpholin-4-ylpropyl 3,4,5-trimethoxybenzoate
- English name
- 3-Morpholinopropyl=3,4,5-trimethoxybenzoate
- Molecular formula
- C17H25NO6
- Molecular weight
- 339.38
Names & synonyms
60439-46-5BENZOIC ACID, 3,4,5-TRIMETHOXY-, 3-MORPHOLINOPROPYL ESTERDTXSID50209182RefChem:1079017DTXCID70131673MLS003106709AF 3653-Morpholinopropyl-3,4,5-trimethoxybenzoateBRN 03006314-27-00-00134 (Beilstein Handbook Reference)3-(morpholin-4-yl)propyl 3,4,5-trimethoxybenzoateCHEMBL2132281
Show more names
AF-3653-Morpholinopropyl=3,4,5-trimethoxybenzoate3,4,5-trimethoxy-benzoic acid 3-morpholin-4-yl-propyl esterBenzoic acid, 3,4,5-trimethoxy-, 3-(4-morpholinyl)propyl ester
NSC169410AKOS033179201NSC 169410NSC-169410SMR001821601BRD-K39874610-003-01-4BRD-K39874610-003-02-2Benzoic acid,4,5-trimethoxy-, 3-morpholinopropyl ester
Database identifiers
- CAS
60439-46-5- PubChem CID
- 43267
- DTXSID
DTXSID50209182- ChEMBL
CHEMBL2132281- Nikkaji
- J87.856A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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