Carbamic acid, dimethyl-, aporphine-10,11-diyl ester
Basic information
- CAS
61389-38-6- Standard SMILES
CN(C)C(=O)Oc1ccc2c(c1OC(=O)N(C)C)-c1cccc3c1[C@@H](C2)N(C)CC3- InChIKey
BYPOKQVFBCKTGJ-QGZVFWFLSA-N- Molecular formula
- C23H27N3O4
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.20015635
Names & identifiers
- Preferred name
- Carbamic acid, dimethyl-, aporphine-10,11-diyl ester
- IUPAC
- [(6aR)-11-(dimethylcarbamoyloxy)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] N,N-dimethylcarbamate
- English name
- Bis(dimethylcarbamic acid)5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo[de,g]quinoline-10,11-diyl ester
- Molecular formula
- C23H27N3O4
- Molecular weight
- 409.48
Names & synonyms
Dimethylcarbamic acid aporphine-10,11-diyl ester61389-38-6Carbamic acid, dimethyl-, aporphine-10,11-diyl esterDTXSID00210309RefChem:332409DTXCID50132800(6aR)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diyl bis(dimethylcarbamate)Bis(dimethylcarbamic acid)5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo[de,g]quinoline-10,11-diyl esterEZ893200Carbamic acid, dimethyl-, 5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo[de,g]quinoline-10,11-diyl ester, (R)- (9CI)
Database identifiers
- CAS
61389-38-6- PubChem CID
- 3045990
- DTXSID
DTXSID00210309
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 654
Physicochemical properties
- Boiling point
- 547.7 · 547.7±50.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 7.68 · 7.68±0.20(Predicted)
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Compound notes
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