| CAS Number | 1798745-74-0 |
| Catalog Number | AG01BETZ |
| Chemical Name | 2-Methyl-1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride |
| IUPAC Name | 2-methyl-1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride |
| InChI | InChI=1S/C12H19N3.2ClH/c1-9-14-11-4-2-3-5-12(11)15(9)10-6-7-13-8-10;;/h10,13H,2-8H2,1H3;2*1H |
| InChI Key | BDJGZGIZBOIQFK-UHFFFAOYSA-N |
| MDL Number | MFCD28118435 |
| Molecular Formula | C12H21Cl2N3 |
| Molecular Weight | 278.2212 |
| SMILES | Cl.Cl.CC1=NC2=C(N1C1CNCC1)CCCC2 |
| Synonyms | 2-methyl-1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride,
1798745-74-0,
AKOS026417828,
Z1889909698,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.221g/mol |
| Monoisotopic Mass | 277.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number