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23789-83-5 molecular structure
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3,3-dimethylpiperidin-2-one

ChemBase ID: 308938
Molecular Formular: C7H13NO
Molecular Mass: 127.18422
Monoisotopic Mass: 127.09971404
SMILES and InChIs

SMILES:
C1(=O)C(C)(C)CCCN1
Canonical SMILES:
O=C1NCCCC1(C)C
InChI:
InChI=1S/C7H13NO/c1-7(2)4-3-5-8-6(7)9/h3-5H2,1-2H3,(H,8,9)
InChIKey:
VCGTVWAYTIKLRQ-UHFFFAOYSA-N

Cite this record

CBID:308938 http://www.chembase.cn/molecule-308938.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,3-dimethylpiperidin-2-one
IUPAC Traditional name
3,3-dimethylpiperidin-2-one
Synonyms
3,3-dimethyl-2-piperidinone
CAS Number
23789-83-5
MDL Number
MFCD10000575

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9639599  LogD (pH = 7.4) 0.96395993 
Log P 0.96395993  Molar Refractivity 35.9344 cm3
Polarizability 14.103091 Å3 Polar Surface Area 29.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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