Morpholine, 4-((3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-
Basic information
- CAS
84646-80-0- Standard SMILES
c1ccc2c(c1)Oc1ccccc1C1OC(CN3CCOCC3)OC21- InChIKey
NILQOMZGDBGRBF-UHFFFAOYSA-N- Molecular formula
- C20H21NO4
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.14705815
Names & identifiers
- Preferred name
- Morpholine, 4-((3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-
- IUPAC
- 4-(3,5,13-trioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-ylmethyl)morpholine
Names & synonyms
84646-80-02-(Morpholinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane4-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)morpholineMorpholine, 4-((3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-RefChem:357568DTXSID9010049374-[(3a,12b-Dihydro-2H-dibenzo[b,f][1,3]dioxolo[4,5-d]oxepin-2-yl)methyl]morpholine
Database identifiers
- CAS
84646-80-0- PubChem CID
- 3069413
- DTXSID
DTXSID901004937
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 425
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Compound notes
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