| CAS Number | 40639-89-2 |
| Catalog Number | AG01AF9A(AGN-PC-0WODH6) |
| Chemical Name | 4,5,6,7-Tetrahydro-1H-1,3-benzodiazol-2-amine hydrochloride |
| IUPAC Name | 4,5,6,7-tetrahydro-1H-benzimidazol-2-amine;hydrochloride |
| InChI | InChI=1S/C7H11N3.ClH/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H2,(H3,8,9,10);1H |
| InChI Key | AYOBXRTVMOGKGA-UHFFFAOYSA-N |
| MDL Number | MFCD27500766 |
| Molecular Formula | C7H12ClN3 |
| Molecular Weight | 173.6433 |
| SMILES | Cl.NC1NC2=C(CCCC2)N=1 |
| Synonyms | 4,5,6,7-Tetrahydro-1H-1,3-benzodiazol-2-amine hydrochloride,
40639-89-2,
SCHEMBL4912069,
AKOS026730418,
EN300-152713,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.644g/mol |
| Monoisotopic Mass | 173.072g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number