| CAS Number | 30163-88-3 |
| Catalog Number | AG00J0XP(AGN-PC-0WBE4Q) |
| Chemical Name | 3-(1H-Benzimidazol-1-yl)propanoic acid hydrochloride |
| IUPAC Name | 3-(benzimidazol-1-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H10N2O2.ClH/c13-10(14)5-6-12-7-11-8-3-1-2-4-9(8)12;/h1-4,7H,5-6H2,(H,13,14);1H |
| InChI Key | DAVWSJSWUOVUFG-UHFFFAOYSA-N |
| MDL Number | MFCD05884661 |
| Molecular Formula | C10H11ClN2O2 |
| Molecular Weight | 226.6595 |
| SMILES | N1C2C=CC=CC=2N(CCC(O)=O)C=1.Cl |
| Synonyms | 3-(1H-Benzimidazol-1-yl)propanoic acid hydrochloride,
3-BENZOIMIDAZOL-1-YL-PROPIONIC ACID HYDROCHLORIDE,
30163-88-3,
CTK7J4171,
BB_SC-00706,
ZX-CM001931,
MFCD05884661,
AKOS005175611,
3-benzimidazolylpropanoic acid, chloride,
TR-055876,
ST50326909,
L-3505,
3-(1,3-benzodiazol-1-yl)propanoic acid hydrochloride,
F1670-0185,
3-(1H-Benzimidazol-1-yl)propanoic acid hydrochloride, AldrichCPR,
14840-18-7,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.66g/mol |
| Monoisotopic Mass | 226.051g/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