| CAS Number | 1803570-64-0 |
| Catalog Number | AG01BE4G(AGN-PC-0WORH2) |
| Chemical Name | (But-2-yn-1-yl)(methyl)amine hydrochloride |
| IUPAC Name | N-methylbut-2-yn-1-amine;hydrochloride |
| InChI | InChI=1S/C5H9N.ClH/c1-3-4-5-6-2;/h6H,5H2,1-2H3;1H |
| InChI Key | IRXVIFAVGGONQZ-UHFFFAOYSA-N |
| MDL Number | MFCD28118290 |
| Molecular Formula | C5H10ClN |
| Molecular Weight | 119.5926 |
| SMILES | Cl.CNCC#CC |
| Synonyms | (but-2-yn-1-yl)(methyl)amine hydrochloride,
1803570-64-0,
AKOS026741749,
|
| Complexity | 72.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 119.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 119.592g/mol |
| Monoisotopic Mass | 119.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number