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203524-64-5 molecular structure
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2,4,6,6-tetramethyl-3,6-dihydropyridin-3-one

ChemBase ID: 304124
Molecular Formular: C9H13NO
Molecular Mass: 151.20562
Monoisotopic Mass: 151.09971404
SMILES and InChIs

SMILES:
C1(=CC(N=C(C1=O)C)(C)C)C
Canonical SMILES:
CC1=CC(C)(C)N=C(C1=O)C
InChI:
InChI=1S/C9H13NO/c1-6-5-9(3,4)10-7(2)8(6)11/h5H,1-4H3
InChIKey:
TWOMTDIVYXTJET-UHFFFAOYSA-N

Cite this record

CBID:304124 http://www.chembase.cn/molecule-304124.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4,6,6-tetramethyl-3,6-dihydropyridin-3-one
IUPAC Traditional name
2,4,6,6-tetramethylpyridin-3-one
Synonyms
2,4,6,6-Tetramethyl-3(6H)-pyridinone
CAS Number
203524-64-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00203
Data Source Data ID Price
BioBioPha
BBP00203 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1047378  LogD (pH = 7.4) 2.1052663 
Log P 2.1052732  Molar Refractivity 45.7433 cm3
Polarizability 17.13476 Å3 Polar Surface Area 29.43 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Liquid expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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