| CAS Number | 1427379-95-0 |
| Catalog Number | AG01A43B |
| Chemical Name | 3-(2-propyl-1H-1,3-benzodiazol-1-yl)propanoic acid hydrochloride |
| IUPAC Name | 3-(2-propylbenzimidazol-1-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C13H16N2O2.ClH/c1-2-5-12-14-10-6-3-4-7-11(10)15(12)9-8-13(16)17;/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,17);1H |
| InChI Key | DKDPXHNNRIJTNH-UHFFFAOYSA-N |
| MDL Number | MFCD23144217 |
| Molecular Formula | C13H17ClN2O2 |
| Molecular Weight | 268.7393 |
| SMILES | Cl.CCCC1N(CCC(O)=O)C2=C(C=CC=C2)N=1 |
| Synonyms | 3-(2-propyl-1H-1,3-benzodiazol-1-yl)propanoic acid hydrochloride,
1427379-95-0,
AKOS026052815,
MCULE-7225324208,
NE47377,
Z1526713572,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.741g/mol |
| Monoisotopic Mass | 268.098g/mol |
| Rotatable Bond Count | 5 |
| 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