Affinine
CAS Registry Number®
2134-82-9
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CAS Name
AffinineMolecular Formula
C20H24N2O2Molecular Mass
324.42Cite this Page
Affinine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2134-82-9 (retrieved ) (CAS RN: 2134-82-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H24N2O2/c1-3-12-10-22(2)18-8-15-13-6-4-5-7-17(13)21-20(15)19(24)9-14(12)16(18)11-23/h3-7,14,16,18,21,23H,8-11H2,1-2H3/b12-3-/t14-,16-,18-/m0/s1
InChIKey
InChIKey=PXFBZOLANLWPMH-FZOXYNGQSA-N
SMILES
O=C1C2=C(C=3C(N2)=CC=CC3)C[C@]4([C@@H](CO)[C@@](C1)(/C(=C\C)/CN4C)[H])[H]
Canonical SMILES
O=C1C=2NC=3C=CC=CC3C2CC4N(C)CC(=CC)C(C1)C4CO
Other Names for this Substance
- Vobasan-3-one, 17-hydroxy-
- Affinine
- 17-Hydroxyvobasan-3-one
