| CAS Number | 1144509-54-5 |
| Catalog Number | AG00HCVQ(AGN-PC-0WCWSK) |
| Chemical Name | 4-MEthyl-n1-[(1e)-phenylmethylene]-1h-imidazole-1,2-diamine |
| IUPAC Name | 1-(benzylideneamino)-4-methylimidazol-2-amine |
| InChI | InChI=1S/C11H12N4/c1-9-8-15(11(12)14-9)13-7-10-5-3-2-4-6-10/h2-8H,1H3,(H2,12,14) |
| InChI Key | JWPMBZWAQDWVQI-UHFFFAOYSA-N |
| MDL Number | MFCD02958161 |
| Molecular Formula | C11H12N4 |
| Molecular Weight | 200.2398 |
| SMILES | Cc1cn(c(n1)N)/N=C/c1ccccc1 |
| Synonyms | 4-Methyl-N1-[(1E)-phenylmethylene]-1H-imidazole-1,2-diamine,
1144509-54-5,
Oprea1_575151,
AKOS030236246,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.245g/mol |
| Monoisotopic Mass | 200.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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