| CAS Number | 118264-47-4 |
| Catalog Number | AG00HEFN(AGN-PC-00003W) |
| Chemical Name | 4-(Methylamino)but-2-YN-1-OL |
| IUPAC Name | 4-(methylamino)but-2-yn-1-ol |
| InChI | InChI=1S/C5H9NO/c1-6-4-2-3-5-7/h6-7H,4-5H2,1H3 |
| InChI Key | IKFFVSYCVWIRMT-UHFFFAOYSA-N |
| MDL Number | MFCD19224706 |
| Molecular Formula | C5H9NO |
| Molecular Weight | 99.1311 |
| SMILES | CNCC#CCO |
| Synonyms | 4-(METHYLAMINO)BUT-2-YN-1-OL,
118264-47-4,
MFCD19224706,
ZINC34200225,
AKOS006381399,
|
| Complexity | 86.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 99.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 99.133g/mol |
| Monoisotopic Mass | 99.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number