1-(2,6-Dimethoxy-4-pyridinyl)-3-(dimethylamino)-1-propanone - CAS 2131782-61-9
Catalog: |
BB055848 |
Product Name: |
1-(2,6-Dimethoxy-4-pyridinyl)-3-(dimethylamino)-1-propanone |
CAS: |
2131782-61-9 |
Synonyms: |
COC1=CC(=CC(OC)=N1)C(=O)CCN(C)C; 1-(2,6-dimethoxypyridin-4-yl)-3-(dimethylamino)propan-1-one |
IUPAC Name: | 1-(2,6-dimethoxypyridin-4-yl)-3-(dimethylamino)propan-1-one |
Description: | 1-(2,6-Dimethoxy-4-pyridinyl)-3-(dimethylamino)-1-propanone is a reagent used for preparing diarylquinoline derivatives. |
Molecular Weight: | 238.28 |
Molecular Formula: | C12H18N2O3 |
Canonical SMILES: | CN(C)CCC(=O)C1=CC(=NC(=C1)OC)OC |
InChI: | InChI=1S/C12H18N2O3/c1-14(2)6-5-10(15)9-7-11(16-3)13-12(8-9)17-4/h7-8H,5-6H2,1-4H3 |
InChI Key: | IAJVOFYUHJJZGR-UHFFFAOYSA-N |
References: | Jin, Yanjuan,: Faming Zhuanli Shenqing, 11 (2018). |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.13174244 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.13174244 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 51.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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