| CAS Number | 39711-80-3 |
| Catalog Number | AG019TIJ(AGN-PC-02JWVB) |
| Chemical Name | 4-Aminobut-2-yn-1-ol hydrochloride |
| IUPAC Name | 4-aminobut-2-yn-1-ol;hydrochloride |
| InChI | InChI=1S/C4H7NO.ClH/c5-3-1-2-4-6;/h6H,3-5H2;1H |
| InChI Key | MGQZIBHXEFVTHC-UHFFFAOYSA-N |
| MDL Number | MFCD21602644 |
| Molecular Formula | C4H8ClNO |
| Molecular Weight | 121.5654 |
| SMILES | OCC#CCN.[H]Cl |
| Synonyms | 4-aminobut-2-yn-1-ol hydrochloride,
39711-80-3,
SCHEMBL2292307,
MGQZIBHXEFVTHC-UHFFFAOYSA-N,
4-amino-2-butyn-1-ol hydrochloride,
AKOS024015541,
2-Butyn-1-ol, 4-amino-, hydrochloride,
F8888-4033,
|
| Complexity | 76 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 121.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 121.564g/mol |
| Monoisotopic Mass | 121.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number