5-Nitro-2-(1-piperidinyl)benzonitrile - CAS 32188-75-3
Catalog: |
BB021219 |
Product Name: |
5-Nitro-2-(1-piperidinyl)benzonitrile |
CAS: |
32188-75-3 |
Synonyms: |
5-nitro-2-(1-piperidinyl)benzonitrile; 5-nitro-2-piperidin-1-ylbenzonitrile |
IUPAC Name: | 5-nitro-2-piperidin-1-ylbenzonitrile |
Description: | 5-Nitro-2-(1-piperidinyl)benzonitrile (CAS# 32188-75-3) is a useful research chemical compound. |
Molecular Weight: | 231.25 |
Molecular Formula: | C12H13N3O2 |
Canonical SMILES: | C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N |
InChI: | InChI=1S/C12H13N3O2/c13-9-10-8-11(15(16)17)4-5-12(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2 |
InChI Key: | AFQKJSKHZCXGLQ-UHFFFAOYSA-N |
Boiling Point: | 414.9 ℃ at 760 mmHg |
Density: | 1.27 g/cm3 |
MDL: | MFCD05365582 |
LogP: | 3.04498 |
Publication Number | Title | Priority Date |
US-2006079696-A1 | Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses | 20040927 |
WO-2006035157-A2 | Substituted n-(benzyl)phenylacetamide derivative compounds, preparation method thereof and uses of same as ppar ligands in the treatment of lipid and/or glucidic disorders | 20040927 |
EP-1310488-A1 | Fused bicyclic amide compounds and medicinal use thereof | 20000809 |
US-2003203909-A1 | Fused bicyclic amide compounds and medicinal use thereof | 20000809 |
US-7112594-B2 | Fused bicyclic amide compounds and medicinal use thereof | 20000809 |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.100776666 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 72.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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