4-(3-Phenylpropyl)pyridine N-oxide - CAS 34122-28-6
Catalog: |
BB021971 |
Product Name: |
4-(3-Phenylpropyl)pyridine N-oxide |
CAS: |
34122-28-6 |
Synonyms: |
1-oxido-4-(3-phenylpropyl)pyridin-1-ium |
IUPAC Name: | 1-oxido-4-(3-phenylpropyl)pyridin-1-ium |
Description: | 4-(3-Phenylpropyl)pyridine N-oxide (CAS# 34122-28-6 ) is a useful research chemical. |
Molecular Weight: | 213.28 |
Molecular Formula: | C14H15NO |
Canonical SMILES: | C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)[O-] |
InChI: | InChI=1S/C14H15NO/c16-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2 |
InChI Key: | OOFBEJNEUVLZOW-UHFFFAOYSA-N |
Melting Point: | 58-65 °C(lit.) |
Purity: | 95 % |
Appearance: | White to tan powder or crystals |
MDL: | MFCD00129033 |
LogP: | 3.29040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201940471-A | Myocardial ganglion inhibitor | 20180119 |
US-2019256504-A1 | Cardiac sarcomere inhibitors | 20180119 |
WO-2019144041-A1 | Dihydrobenzofuran and inden analogs as cardiac sarcomere inhibitors | 20180119 |
AU-2019208331-A1 | Dihydrobenzofuran and inden analogs as cardiac sarcomere inhibitors | 20180119 |
BR-112020014428-A2 | compound, pharmaceutical composition, and, methods for the treatment of heart disease in an individual, for the treatment of a disease or condition that is associated with small left ventricular cavity and cavity obliteration, hyperdynamic contraction of the left ventricle, myocardial ischemia or cardiac fibrosis, for the treatment of a disease or condition selected from muscular dystrophies and glycogen storage diseases and for inhibition of the cardiac sarcomere | 20180119 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.115364102 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 25.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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