| CAS Number | 64928-55-8 |
| Catalog Number | AG019YEE(AGN-PC-0TEIIO) |
| Chemical Name | 1-(2-Aminoethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride |
| IUPAC Name | 3-(2-aminoethyl)-1H-benzimidazol-2-one;hydrochloride |
| InChI | InChI=1S/C9H11N3O.ClH/c10-5-6-12-8-4-2-1-3-7(8)11-9(12)13;/h1-4H,5-6,10H2,(H,11,13);1H |
| InChI Key | VFQPYJTVVDTJSI-UHFFFAOYSA-N |
| MDL Number | MFCD18459181 |
| Molecular Formula | C9H12ClN3O |
| Molecular Weight | 213.6641 |
| SMILES | O=C1N(CCN)C2=CC=CC=C2N1.[H]Cl |
| Synonyms | 1-(2-aminoethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride,
64928-55-8,
SCHEMBL2985946,
VFQPYJTVVDTJSI-UHFFFAOYSA-N,
AKOS015958920,
MCULE-9516593815,
NE22819,
Z1354416053,
1-(2-aminoethyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride,
1-(2-aminoethyl)-1,3-dihydro-2H-benzimidazol-2-one hydrochloride,
1-(2-aminoethyl)-1h-benzo[d]imidazol-2(3h)-one hydrochloride salt,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.665g/mol |
| Monoisotopic Mass | 213.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number