Basic information
- CAS
5590-86-3- Standard SMILES
C(CCN1CCOCC1)=C1c2ccccc2CCc2ccccc21- InChIKey
ZQALRUNJXMWBAX-UHFFFAOYSA-N- Molecular formula
- C22H25NO
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.19361442
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(3-morpholinopropylidene)-
- IUPAC
- 4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine
- English name
- 4-[3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl]morpholine
- Molecular formula
- C22H25NO
- Molecular weight
- 319.44
Names & synonyms
5590-86-3BRN 28774485H-DIBENZO(a,d)CYCLOHEPTENE, 10,11-DIHYDRO-5-(3-MORPHOLINOPROPYLIDENE)-DTXSID7020449210,11-Dihydro-5-(3-morpholinopropylidene)-5H-dibenzo(a,d)cyclohepteneRefChem:305560DTXCID701269834-[3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)propyl]morpholine4-[3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl]morpholineMorpholine, 4-[3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl]-
Database identifiers
- CAS
5590-86-3- PubChem CID
- 21792
- DTXSID
DTXSID70204492- Nikkaji
- J40.885I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Boiling point
- 469.9 · 469.9±33.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- pka
- 6.97 · 6.97±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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