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1690-76-2

1690-76-2 | 2-Piperidinone, 1,3-dimethyl-

CAS No: 1690-76-2 Catalog No: AG001YFT MDL No:

Product Description

Catalog Number:
AG001YFT
Chemical Name:
2-Piperidinone, 1,3-dimethyl-
CAS Number:
1690-76-2
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
IUPAC Name:
1,3-dimethylpiperidin-2-one
InChI:
InChI=1S/C7H13NO/c1-6-4-3-5-8(2)7(6)9/h6H,3-5H2,1-2H3
InChI Key:
RJLKIAGOYBARJG-UHFFFAOYSA-N
SMILES:
O=C1C(C)CCCN1C

Properties

Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

Literature

Title Journal
Lesions in the Larynx of Wistar RccHan: WIST Rats. Journal of toxicologic pathology 20091201
Antioxidant activity of L-adrenaline: a structure-activity insight. Chemico-biological interactions 20090515
Measurement of antioxidant ability of melatonin and serotonin by the DMPD and CUPRAC methods as trolox equivalent. Journal of enzyme inhibition and medicinal chemistry 20081201
Contribution of anthocyanin fraction to the antioxidant properties of wine. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20080801
Antioxidant activity of pasteurized and sterilized commercial red orange juices. Molecular nutrition & food research 20051201
Developmental toxicity study of dimethylpiperidone. Drug and chemical toxicology 20040201
Inhalation toxicity of dimethyl piperidinone. Toxicology 20030201

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