| CAS Number | 1221725-48-9 |
| Catalog Number | AG019Y6Y |
| Chemical Name | 4-(1H-1,3-benzodiazol-1-ylmethyl)benzene-1-carboximidamide dihydrochloride |
| IUPAC Name | 4-(benzimidazol-1-ylmethyl)benzenecarboximidamide;dihydrochloride |
| InChI | InChI=1S/C15H14N4.2ClH/c16-15(17)12-7-5-11(6-8-12)9-19-10-18-13-3-1-2-4-14(13)19;;/h1-8,10H,9H2,(H3,16,17);2*1H |
| InChI Key | YIZWJWKEZXLBAC-UHFFFAOYSA-N |
| MDL Number | MFCD14705678 |
| Molecular Formula | C15H16Cl2N4 |
| Molecular Weight | 323.2203 |
| SMILES | Cl.Cl.N1(C=NC2=C1C=CC=C2)CC2=CC=C(C=C2)C(N)=N |
| Synonyms | 4-(1H-1,3-benzodiazol-1-ylmethyl)benzene-1-carboximidamide dihydrochloride,
EN300-57246,
1221725-48-9,
AC1Q3AQ9,
CTK7D1895,
AKOS016904194,
MCULE-7948434419,
NE25677,
Z234894731,
4-[(1H-1,3-benzodiazol-1-yl)methyl]benzene-1-carboximidamide dihydrochloride,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.221g/mol |
| Monoisotopic Mass | 322.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number