| CAS Number | 124617-73-8 |
| Catalog Number | AG019M4Z |
| Chemical Name | 3-benzyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-amine hydrochloride |
| IUPAC Name | 3-benzyl-2-iminobenzimidazol-1-amine;hydrochloride |
| InChI | InChI=1S/C14H14N4.ClH/c15-14-17(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18(14)16;/h1-9,15H,10,16H2;1H |
| InChI Key | PDGMOQFQXJIRMB-UHFFFAOYSA-N |
| MDL Number | MFCD08245284 |
| Molecular Formula | C14H15ClN4 |
| Molecular Weight | 274.7487 |
| SMILES | Cl.NN1C2=C(C=CC=C2)N(CC2=CC=CC=C2)C1=N |
| Synonyms | 3-benzyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-amine hydrochloride,
124617-73-8,
AC1Q3DFT,
CTK7D1316,
AKOS008074177,
MCULE-9060913966,
NE47644,
EN300-34692,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.752g/mol |
| Monoisotopic Mass | 274.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number