4-(4-Methyl-3-nitrophenyl)morpholine - CAS 245117-17-3
Catalog: |
BB018510 |
Product Name: |
4-(4-Methyl-3-nitrophenyl)morpholine |
CAS: |
245117-17-3 |
Synonyms: |
4-(4-methyl-3-nitrophenyl)morpholine; 4-(4-methyl-3-nitrophenyl)morpholine |
IUPAC Name: | 4-(4-methyl-3-nitrophenyl)morpholine |
Description: | 4-(4-Methyl-3-nitrophenyl)morpholine can be used as human aldose reductase inhibitors. |
Molecular Weight: | 222.24 |
Molecular Formula: | C11H14N2O3 |
Canonical SMILES: | CC1=C(C=C(C=C1)N2CCOCC2)[N+](=O)[O-] |
InChI: | InChI=1S/C11H14N2O3/c1-9-2-3-10(8-11(9)13(14)15)12-4-6-16-7-5-12/h2-3,8H,4-7H2,1H3 |
InChI Key: | CYMDJHMDVUTLRA-UHFFFAOYSA-N |
LogP: | 2.32800 |
Publication Number | Title | Priority Date |
AU-2007282535-A1 | Pyrimidine derivative as PI3K inhibitor and use thereof | 20060808 |
AU-2007282535-B2 | Pyrimidine derivative as PI3K inhibitor and use thereof | 20060808 |
AU-2007282535-B9 | Pyrimidine derivative as PI3K inhibitor and use thereof | 20060808 |
CN-101501035-A | Pyrimidine derivative as P13K inhibitor and use thereof | 20060808 |
CN-101501035-B | Pyrimidine derivative as P13K inhibitor and use thereof | 20060808 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.10044231 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Morpholines/Thiomorpholines
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