Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(dimethylamino)methyl-, maleate
Basic information
- CAS
39890-14-7- Standard SMILES
CN(C)CC1COC2(O1)c1ccccc1COc1ccccc12.O=C(O)/C=C/C(=O)O- InChIKey
KXWLQZFZKDEOFK-WLHGVMLRSA-N- Molecular formula
- C23H25NO7
- Average molar mass
- 427.4 g/mol
- Monoisotopic mass
- 427.16310214
Names & identifiers
- Preferred name
- Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(dimethylamino)methyl-, maleate
- IUPAC
- (E)-but-2-enedioic acid;N,N-dimethyl-1-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethanamine
Names & synonyms
Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(dimethylamino)methyl-, maleate39890-14-7RefChem:1098985
Database identifiers
- CAS
39890-14-7- PubChem CID
- 6445682
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 534
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Compound notes
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