| CAS Number | 95064-91-8 |
| Catalog Number | AG01C5TK(AGN-PC-0NJNK8) |
| Chemical Name | N-Methylbut-3-yn-1-amine |
| IUPAC Name | N-methylbut-3-yn-1-amine |
| InChI | InChI=1S/C5H9N/c1-3-4-5-6-2/h1,6H,4-5H2,2H3 |
| InChI Key | OOFSDSHCWBZGQL-UHFFFAOYSA-N |
| MDL Number | MFCD16683242 |
| Molecular Formula | C5H9N |
| Molecular Weight | 83.1317 |
| SMILES | CNCCC#C |
| Synonyms | (but-3-yn-1-yl)(methyl)amine,
95064-91-8,
N-methylbut-3-yn-1-amine,
ZINC43328847,
AKOS010954943,
F2147-1581,
N-(3-butynyl)-N-methylamine,
N/A,
|
| Complexity | 57.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 83.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 83.134g/mol |
| Monoisotopic Mass | 83.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number