2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-(methylamino)cyclohexa-2,5-diene-1,4-dione
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![2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-(methylamino)cyclohexa-2,5-diene-1,4-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/588bebafdcb1483ba2c31e6fd1c2bb22.png "2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-(methylamino)cyclohexa-2,5-diene-1,4-dione")
2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-(methylamino)cyclohexa-2,5-diene-1,4-dione
structure -
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CAS No:
83995-06-6
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Formula:
C22H31NO2
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Chemical Name:
2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-(methylamino)cyclohexa-2,5-diene-1,4-dione
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Synonyms:
2,5-Cyclohexadiene-1,4-dione, 2-(methylamino)-6-(((1R,2S,4aS,8aS)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-;83995-06-6;3'-(Methylamino)avarone;3'-Methylaminoavarone;3'-methylamino-avarone;CHEMBL458525;DTXSID50232879
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CAS No:
2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-(methylamino)cyclohexa-2,5-diene-1,4-dione Basic Attributes
341.5 g/mol
341.235479232 g/mol
DTXSID50232879
Computed Properties
Molecular Weight:341.5
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:341.235479232
Monoisotopic Mass:341.235479232
Topological Polar Surface Area:46.2
Heavy Atom Count:25
Complexity:699
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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