Vitas-M small molecule compound

5,5-dimethyl-3-(octylamino)cyclohex-2-en-1-one

Catalog ID
STL357441
SMILES CCCCCCCCNC1=CC(=O)CC(C1)(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C16H29NO MW 251.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-17-14-11-15(18)13-16(2,3)12-14/h11,17H,4-10,12-13H2,1-3H3
InChIKey
MPTYCSJLYZKNAL-UHFFFAOYSA-N
Synonyms
89129-58-8
2CYCLOHEXEN1ONE55DIMETHYL3(OCTYLAMINO)
3(OCTYLAMINO)55DIMETHYL2CYCLOHEXENE1ONE
55DIMETHYL3(OCTYLAMINO)1CYCLOHEX2ENONE
55dimethyl3(octylamino)cyclohex2en1one
55dimethyl3(octylamino)cyclohex2enone
55DIMETHYL3OCTYLAMINOCYCLOHEX2ENONE
89129588
InChI=1SC16H29NOc14567891017141115(18)1316(23)1214h1117H4101213H213H3
MFCD01084904
ZINC000017544530
ZINC17544530

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.