3-Methyl-1-(3-pyridinyl)-1-butanone - CAS 82465-52-9
Catalog: |
BB036837 |
Product Name: |
3-Methyl-1-(3-pyridinyl)-1-butanone |
CAS: |
82465-52-9 |
Synonyms: |
3-methyl-1-pyridin-3-ylbutan-1-one |
IUPAC Name: | 3-methyl-1-pyridin-3-ylbutan-1-one |
Description: | 3-Methyl-1-(3-pyridinyl)-1-butanone (CAS# 82465-52-9) is a useful research chemical. |
Molecular Weight: | 163.22 |
Molecular Formula: | C10H13NO |
Canonical SMILES: | CC(C)CC(=O)C1=CN=CC=C1 |
InChI: | InChI=1S/C10H13NO/c1-8(2)6-10(12)9-4-3-5-11-7-9/h3-5,7-8H,6H2,1-2H3 |
InChI Key: | UYDDFOUEMHGSEZ-UHFFFAOYSA-N |
Boiling Point: | 262.9 °C at 760 mmHg |
Density: | 0.994 g/cm3 |
LogP: | 2.31040 |
Publication Number | Title | Priority Date |
US-10532088-B2 | Adoptive cellular therapy using an agonist of retinoic acid receptor-related orphan receptor gamma and related therapeutic methods | 20140227 |
US-2017007686-A1 | Adoptive Cellular Therapy Using an Agonist of Retinoic Acid Receptor-Related Orphan Receptor Gamma & Related Therapeutic Methods | 20140227 |
US-10208061-B2 | Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease | 20120508 |
US-10377768-B2 | Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease | 20120508 |
US-2015111877-A1 | TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE | 20120508 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.099714038 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 30 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Pyridines
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