4,4-Dimethyl-1,2,3,4-tetrahydroquinolin-2-one - CAS 76693-04-4
Catalog: |
BB035673 |
Product Name: |
4,4-Dimethyl-1,2,3,4-tetrahydroquinolin-2-one |
CAS: |
76693-04-4 |
Synonyms: |
4,4-dimethyl-1,3-dihydroquinolin-2-one; 4,4-dimethyl-1,3-dihydroquinolin-2-one |
IUPAC Name: | 4,4-dimethyl-1,3-dihydroquinolin-2-one |
Description: | 4,4-Dimethyl-1,2,3,4-tetrahydroquinolin-2-one (CAS# 76693-04-4) is a useful research chemical. |
Molecular Weight: | 175.23 |
Molecular Formula: | C11H13NO |
Canonical SMILES: | CC1(CC(=O)NC2=CC=CC=C21)C |
InChI: | InChI=1S/C11H13NO/c1-11(2)7-10(13)12-9-6-4-3-5-8(9)11/h3-6H,7H2,1-2H3,(H,12,13) |
InChI Key: | HMOBRUPKXAKFHS-UHFFFAOYSA-N |
LogP: | 2.39150 |
Publication Number | Title | Priority Date |
CN-109988093-A | The aminated compounds for inhibiting SSAO/VAP-1 and its application in medicine | 20171229 |
AU-2016314390-A1 | Small molecule compound for enhancing plant stress resistance | 20150828 |
AU-2016314390-B2 | Small molecule compound for enhancing plant stress resistance | 20150828 |
EP-3342766-A1 | Small molecule compound for enhancing plant stress resistance | 20150828 |
US-2018360039-A1 | Small Molecule Compound for Enhancing Plant Stress Resistance | 20150828 |
PMID | Publication Date | Title | Journal |
18164518 | 20080801 | Synthesis of potential Rho-kinase inhibitors based on the chemistry of an original heterocycle: 4,4-dimethyl-3,4-dihydro-1H-quinolin-2-one | European journal of medicinal chemistry |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.099714038 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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