9,10-Ethanoanthracene, 9,10-dihydro-11-(dimethylaminomethyl)-
Basic information
- CAS
4053-11-6- Standard SMILES
CN(C)CC1CC2c3ccccc3C1c1ccccc12- InChIKey
KOIRVMFZPVMONM-UHFFFAOYSA-N- Molecular formula
- C19H21N
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 263.16739967
Names & identifiers
- Preferred name
- 9,10-Ethanoanthracene, 9,10-dihydro-11-(dimethylaminomethyl)-
- IUPAC
- N,N-dimethyl-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine
- English name
- 9,10-Dihydro-11-(dimethylaminomethyl)-9,10-ethanoanthracene
- Molecular formula
- C19H21N
- Molecular weight
- 263.38
Names & synonyms
4053-11-69,10-Ethanoanthracene, 9,10-dihydro-11-(dimethylaminomethyl)-RefChem:1074833BRN 238280811-Dimethylamino-9,10-dihydro-9,10-ethanoanthraceneCHEMBL3105374DTXSID109609499,10-Dihydro-11-(dimethylaminomethyl)-9,10-ethanoanthracene1-(9,10-Dihydro-9,10-ethanoanthracen-11-yl)-N,N-dimethylmethanamine9,10-Ethanoanthracene-11-methanamine, 9,10-dihydro-N,N-dimethyl-
Database identifiers
- CAS
4053-11-6- PubChem CID
- 199343
- DTXSID
DTXSID10960949- ChEMBL
CHEMBL3105374- Nikkaji
- J49.812B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 70 · 70-78 °C
- Boiling point
- 377.3 · 377.3±11.0 °C(Predicted)
- Density
- 1.079 · 1.079±0.06 g/cm3(Predicted)
- pka
- 9.3 · 9.30±0.28(Predicted)
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Related reactions
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Compound notes
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