| CAS Number | 1255718-20-7 |
| Catalog Number | AG00J0XM(AGN-PC-0WB697) |
| Chemical Name | 4-(1H-1,2,4-triazol-1-yl)butanoic acid hydrochloride |
| IUPAC Name | 4-(1,2,4-triazol-1-yl)butanoic acid;hydrochloride |
| InChI | InChI=1S/C6H9N3O2.ClH/c10-6(11)2-1-3-9-5-7-4-8-9;/h4-5H,1-3H2,(H,10,11);1H |
| InChI Key | UHLFJHYFXFEWJW-UHFFFAOYSA-N |
| MDL Number | MFCD13186040 |
| Molecular Formula | C6H10ClN3O2 |
| Molecular Weight | 191.6155 |
| SMILES | N1=CN(N=C1)CCCC(O)=O.Cl |
| Synonyms | 4-(1H-1,2,4-Triazol-1-yl)butanoic acid hydrochloride,
1255718-20-7,
ZX-CM001960,
MFCD13186040,
AKOS027426234,
4-(1H-1,2,4-Triazol-1-yl)butanoic acid hydrochloride, AldrichCPR,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.615g/mol |
| Monoisotopic Mass | 191.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number