4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-propyl-
Basic information
- CAS
57559-68-9- Standard SMILES
CCCN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3- InChIKey
BTGAJCKRXPNBFI-UHFFFAOYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Names & identifiers
- Preferred name
- 4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-propyl-
- IUPAC
- 6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Names & synonyms
57559-68-9AZ9L8ZYZ3A(+-)-N-Propylnorapomorphine10,11-Dihydroxy-6-propylnoraporphine(+-)-N-n-PropylnorapomorphineUNII-AZ9L8ZYZ3A4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-propyl-6-Propyl- 5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-10,11-diol6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-propyl-, (+-)-GTPL934SCHEMBL249729
Show more names
orb3174034(A+/-)-N-PropylnorapomorphineSCHEMBL29447877R(-)-PROPYLNORAPOMORPHINEDTXSID001311565PDSP1_000787PDSP2_000775PROPYLNORAPOMORPHINE, (+/-)-
Database identifiers
- CAS
57559-68-9- PubChem CID
- 30137
- DTXSID
DTXSID001311565- UNII
- AZ9L8ZYZ3A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Experimental & physicochemical properties
Ionization Efficiency
Positive
3.99
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
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Related reactions
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Compound notes
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