2-[(3,5-Dimethyl-2H-pyrrol-2-ylidene)methyl]-3,5-dimethyl-1H-pyrrole monohydrochloride - CAS 67036-97-9
Catalog: |
BB033170 |
Product Name: |
2-[(3,5-Dimethyl-2H-pyrrol-2-ylidene)methyl]-3,5-dimethyl-1H-pyrrole monohydrochloride |
CAS: |
67036-97-9 |
Synonyms: |
2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride |
IUPAC Name: | (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride |
Description: | 2-[(3,5-Dimethyl-2H-pyrrol-2-ylidene)methyl]-3,5-dimethyl-1H-pyrrole monohydrochloride (CAS# 67036-97-9 ) is a useful research chemical. |
Molecular Weight: | 236.74 |
Molecular Formula: | C13H17ClN2 |
Canonical SMILES: | CC1=CC(=NC1=CC2=C(C=C(N2)C)C)C.Cl |
InChI: | InChI=1S/C13H16N2.ClH/c1-8-5-10(3)14-12(8)7-13-9(2)6-11(4)15-13;/h5-7,14H,1-4H3;1H |
InChI Key: | SONPMPUHCHDTQZ-UHFFFAOYSA-N |
MDL: | MFCD09265115 |
LogP: | 3.63080 |
Publication Number | Title | Priority Date |
EP-2343974-A2 | Na channels, disease, and related assays and compositions | 20080815 |
US-2011230442-A1 | Na channels, disease, and related assays and compositions | 20080815 |
US-8816095-B2 | Na channels, disease, and related assays and compositions | 20080815 |
WO-2010019963-A2 | Na channels, disease, and related assays and compositions | 20080815 |
WO-2010027641-A2 | Na channels, disease, and related assays and compositions | 20080815 |
Complexity: | 350 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 236.1080262 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.1080262 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Pyrroles
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