| CAS Number | 1235439-79-8 |
| Catalog Number | AG01A8MJ |
| Chemical Name | 2-(Piperazin-1-yl)-1H-1,3-benzodiazole dihydrochloride |
| IUPAC Name | 2-piperazin-1-yl-1H-benzimidazole;dihydrochloride |
| InChI | InChI=1S/C11H14N4.2ClH/c1-2-4-10-9(3-1)13-11(14-10)15-7-5-12-6-8-15;;/h1-4,12H,5-8H2,(H,13,14);2*1H |
| InChI Key | VQPFOTRGYMKZPR-UHFFFAOYSA-N |
| MDL Number | MFCD16040115 |
| Molecular Formula | C11H16Cl2N4 |
| Molecular Weight | 275.1775 |
| SMILES | Cl.Cl.C1NCCN(C2NC3=C(C=CC=C3)N=2)C1 |
| Synonyms | 2-(piperazin-1-yl)-1H-1,3-benzodiazole dihydrochloride,
1235439-79-8,
2-piperazin-1-yl-1H-benzimidazole dihydrochloride,
2-piperazin-1-yl-1H-benzimidazole dihydrocloride,
F2145-0416,
AC1Q3A40,
AKOS026677251,
MCULE-9414399757,
EN300-62023,
L-4761,
Z1222331867,
57260-68-1,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.177g/mol |
| Monoisotopic Mass | 274.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number