| CAS Number | 1221724-14-6 |
| Catalog Number | AG01A7NS |
| Chemical Name | 4-[(pyridin-4-yl)methoxy]benzene-1-carboximidamide trihydrochloride |
| IUPAC Name | 4-(pyridin-4-ylmethoxy)benzenecarboximidamide;trihydrochloride |
| InChI | InChI=1S/C13H13N3O.3ClH/c14-13(15)11-1-3-12(4-2-11)17-9-10-5-7-16-8-6-10;;;/h1-8H,9H2,(H3,14,15);3*1H |
| InChI Key | XSJDWDACNMXPQN-UHFFFAOYSA-N |
| MDL Number | MFCD14705745 |
| Molecular Formula | C13H16Cl3N3O |
| Molecular Weight | 336.6446 |
| SMILES | Cl.Cl.Cl.NC(C1=CC=C(OCC2=CC=NC=C2)C=C1)=N |
| Synonyms | 4-(pyridin-4-ylmethoxy)benzene-1-carboximidamide trihydrochloride,
1221724-14-6,
EN300-59289,
AC1Q3AC7,
CTK7D1909,
AKOS008107995,
MCULE-4534138933,
NE32936,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.641g/mol |
| Monoisotopic Mass | 335.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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