| CAS Number | 1177362-39-8 |
| Catalog Number | AG01A8JU |
| Chemical Name | 2-[(piperazin-1-yl)methyl]-1H-1,3-benzodiazole dihydrochloride |
| IUPAC Name | 2-(piperazin-1-ylmethyl)-1H-benzimidazole;dihydrochloride |
| InChI | InChI=1S/C12H16N4.2ClH/c1-2-4-11-10(3-1)14-12(15-11)9-16-7-5-13-6-8-16;;/h1-4,13H,5-9H2,(H,14,15);2*1H |
| InChI Key | CQZPBSCKOAQXAW-UHFFFAOYSA-N |
| MDL Number | MFCD10023086 |
| Molecular Formula | C12H18Cl2N4 |
| Molecular Weight | 289.2041 |
| SMILES | Cl.Cl.C(C1NC2=C(C=CC=C2)N=1)N1CCNCC1 |
| Synonyms | 1177362-39-8,
2-(piperazin-1-ylmethyl)-1H-benzimidazole dihydrochloride,
2-(piperazin-1-ylmethyl)-1H-1,3-benzodiazole dihydrochloride,
2-[(piperazin-1-yl)methyl]-1H-1,3-benzodiazole dihydrochloride,
F2158-0625,
AC1Q3A2D,
MFCD10023086,
AKOS022209321,
MCULE-9125744633,
EN300-61785,
L-2424,
59052-85-6,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.204g/mol |
| Monoisotopic Mass | 288.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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