| CAS Number | 1197821-90-1 |
| Catalog Number | AG019WMN |
| Chemical Name | 2-butyl-1H-1,3-benzodiazol-5-amine dihydrochloride |
| IUPAC Name | 2-butyl-3H-benzimidazol-5-amine;dihydrochloride |
| InChI | InChI=1S/C11H15N3.2ClH/c1-2-3-4-11-13-9-6-5-8(12)7-10(9)14-11;;/h5-7H,2-4,12H2,1H3,(H,13,14);2*1H |
| InChI Key | VHCNSYJJLKZADN-UHFFFAOYSA-N |
| MDL Number | MFCD12913107 |
| Molecular Formula | C11H17Cl2N3 |
| Molecular Weight | 262.1788 |
| SMILES | Cl.Cl.CCCCC1NC2=C(C=C(C=C2)N)N=1 |
| Synonyms | 2-butyl-1H-1,3-benzodiazol-5-amine dihydrochloride,
1197821-90-1,
AC1Q3A9U,
CTK6D6514,
AKOS008108175,
MCULE-4802378573,
NE15641,
EN300-52412,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.178g/mol |
| Monoisotopic Mass | 261.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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