| CAS Number | 1183776-28-4 |
| Catalog Number | AG01BDHL(AGN-PC-0WORT4) |
| Chemical Name | (5-bromo-1-ethyl-1H-1,3-benzodiazol-2-yl)methanamine |
| IUPAC Name | (5-bromo-1-ethylbenzimidazol-2-yl)methanamine |
| InChI | InChI=1S/C10H12BrN3/c1-2-14-9-4-3-7(11)5-8(9)13-10(14)6-12/h3-5H,2,6,12H2,1H3 |
| InChI Key | VDQZWQIWJJVFRQ-UHFFFAOYSA-N |
| MDL Number | MFCD12150191 |
| Molecular Formula | C10H12BrN3 |
| Molecular Weight | 254.1264 |
| SMILES | CCN1C2=C(C=C(C=C2)Br)N=C1CN |
| Synonyms | (5-bromo-1-ethyl-1H-1,3-benzodiazol-2-yl)methanamine,
1183776-28-4,
SCHEMBL2016798,
ZINC37441438,
AKOS009999546,
NE40739,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.131g/mol |
| Monoisotopic Mass | 253.021g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number