| CAS Number | 35321-25-6 |
| Catalog Number | AG01A0VI(AGN-PC-0WBUXJ) |
| Chemical Name | 3-(1H-1,3-benzodiazol-1-yl)butanoic acid hydrochloride |
| IUPAC Name | 3-(benzimidazol-1-yl)butanoic acid;hydrochloride |
| InChI | InChI=1S/C11H12N2O2.ClH/c1-8(6-11(14)15)13-7-12-9-4-2-3-5-10(9)13;/h2-5,7-8H,6H2,1H3,(H,14,15);1H |
| InChI Key | VJMPMBXKRWFLNL-UHFFFAOYSA-N |
| MDL Number | MFCD08143956 |
| Molecular Formula | C11H13ClN2O2 |
| Molecular Weight | 240.6861 |
| SMILES | Cl.CC(N1C2=C(C=CC=C2)N=C1)CC(O)=O |
| Synonyms | 3-BENZOIMIDAZOL-1-YL-BUTYRIC ACID HYDROCHLORIDE,
35321-25-6,
3-(1H-1,3-benzodiazol-1-yl)butanoic acid hydrochloride,
CTK7J1883,
AKOS005175593,
3-benzimidazolylbutanoic acid, chloride,
MCULE-3898456673,
NE58037,
TR-044900,
ST50329793,
3-(1H-Benzo[d]imidazol-1-yl)butanoic acid hydrochloride,
F3243-0750,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.687g/mol |
| Monoisotopic Mass | 240.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number