3-(Dimethylamino)-1-(4-methoxyphenyl)propan-1-one - CAS 2138-33-2
Catalog: |
BB016811 |
Product Name: |
3-(Dimethylamino)-1-(4-methoxyphenyl)propan-1-one |
CAS: |
2138-33-2 |
Synonyms: |
3-(dimethylamino)-1-(4-methoxyphenyl)-1-propanone; 3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one |
IUPAC Name: | 3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one |
Description: | 3-(Dimethylamino)-1-(4-methoxyphenyl)propan-1-one (CAS# 2138-33-2) is a useful research chemical compound. |
Molecular Weight: | 207.27 |
Molecular Formula: | C12H17NO2 |
Canonical SMILES: | CN(C)CCC(=O)C1=CC=C(C=C1)OC |
InChI: | InChI=1S/C12H17NO2/c1-13(2)9-8-12(14)10-4-6-11(15-3)7-5-10/h4-7H,8-9H2,1-3H3 |
InChI Key: | OFNZCNMFQSONGW-UHFFFAOYSA-N |
LogP: | 1.82960 |
Publication Number | Title | Priority Date |
US-2020345661-A1 | Small molecule cmklr1 antagonists in inflammatory disease | 20190502 |
US-2016060235-A1 | Therapeutic Agent for Type 2 Diabetes | 20130329 |
AU-2014218720-A1 | Gamma-diketones as Wnt/beta -catenin signaling pathway activators | 20130222 |
AU-2018275021-A1 | Gamma-diketones as wnt/beta -catenin signaling pathway activators | 20130222 |
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PMID | Publication Date | Title | Journal |
21580002 | 20091212 | 8-Meth-oxy-4-(4-methoxy-phen-yl)quinoline | Acta crystallographica. Section E, Structure reports online |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.125928785 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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