| CAS Number | 1559062-01-9 |
| Catalog Number | AG00J2YU(AGN-PC-0WRASF) |
| Chemical Name | 3-(1H-benzimidazol-1-yl)propanoic acid dihydrochloride |
| IUPAC Name | 3-(benzimidazol-1-yl)propanoic acid;dihydrochloride |
| InChI | InChI=1S/C10H10N2O2.2ClH/c13-10(14)5-6-12-7-11-8-3-1-2-4-9(8)12;;/h1-4,7H,5-6H2,(H,13,14);2*1H |
| InChI Key | IYFRIQKHGDWLFF-UHFFFAOYSA-N |
| MDL Number | MFCD27966292 |
| Molecular Formula | C10H12Cl2N2O2 |
| Molecular Weight | 263.1205 |
| SMILES | N1C2C=CC=CC=2N(CCC(O)=O)C=1.Cl.Cl |
| Synonyms | 3-(1H-benzimidazol-1-yl)propanoic acid dihydrochloride,
1559062-01-9,
ZX-CM010928,
MFCD27966292,
A-7035,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.118g/mol |
| Monoisotopic Mass | 262.028g/mol |
| Rotatable Bond Count | 3 |
| 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