| CAS Number | 1432679-62-3 |
| Catalog Number | AG01A4V5 |
| Chemical Name | 3-(2-tert-butyl-1H-1,3-benzodiazol-1-yl)propanoic acid hydrochloride |
| IUPAC Name | 3-(2-tert-butylbenzimidazol-1-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C14H18N2O2.ClH/c1-14(2,3)13-15-10-6-4-5-7-11(10)16(13)9-8-12(17)18;/h4-7H,8-9H2,1-3H3,(H,17,18);1H |
| InChI Key | GTYZSHQGYAMUGR-UHFFFAOYSA-N |
| MDL Number | MFCD24369142 |
| Molecular Formula | C14H19ClN2O2 |
| Molecular Weight | 282.7659 |
| SMILES | Cl.CC(C1N(CCC(O)=O)C2=C(C=CC=C2)N=1)(C)C |
| Synonyms | 3-(2-tert-butyl-1H-1,3-benzodiazol-1-yl)propanoic acid hydrochloride,
1432679-62-3,
MCULE-4347435187,
NE52701,
Z1526709469,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.768g/mol |
| Monoisotopic Mass | 282.114g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number