Spiroxepin
Basic information
- CAS
47254-05-7- Standard SMILES
CN(C)CC1COC2(O1)c1ccccc1COc1ccccc12- InChIKey
CMEBTCWURHMCEE-UHFFFAOYSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.15214353
Names & identifiers
- Preferred name
- Spiroxepin
- IUPAC
- N,N-dimethyl-1-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethanamine
- English name
- spiroxepin
- Molecular formula
- C19H21NO3
- Molecular weight
- 0
Names & synonyms
SpiroxepinSpiroxepine47254-05-7EspiroxepinaSpiroxepin [INN]N,N-dimethyl-1-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethanamine80O018LGCISpiroxepinumSpiroxepine [INN-French]N,N-Dimethylspiro(dibenz(b,e)oxepin-11(6H),2'-(1,3)dioxolane)-4'-methylamineSpiroxepinum [INN-Latin]Espiroxepina [INN-Spanish]
Show more names
N,N-Dimethylspiro[dibenz[b,e]oxepin-11(6H),2'-[1,3]dioxolane]-4'-methanamine
UNII-80O018LGCIEINECS 256-304-0n,n-dimethyl-1-(6h-spiro[dibenzo[b,e]oxepine-11,2'-[1,3]dioxolan]-4'-yl)methanamineCHEMBL2107575SCHEMBL29387710DTXSID60866129CMEBTCWURHMCEE-UHFFFAOYSA-NNS00058212
Database identifiers
- CAS
47254-05-7- PubChem CID
- 68674
- DTXSID
DTXSID60866129- ChEMBL
CHEMBL2107575- UNII
- 80O018LGCI
- EC Number
- 256-304-0
- Nikkaji
- J16.408I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- FDA UNII
- 80 O018LGCI · 80O018LGCI
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Related reactions
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Compound notes
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