| CAS Number | 1247755-05-0 |
| Catalog Number | AG01BXTR |
| Chemical Name | 1-methoxypent-4-yn-2-amine |
| IUPAC Name | 1-methoxypent-4-yn-2-amine |
| InChI | InChI=1S/C6H11NO/c1-3-4-6(7)5-8-2/h1,6H,4-5,7H2,2H3 |
| InChI Key | OTXCLTFNOJGVBN-UHFFFAOYSA-N |
| MDL Number | MFCD16698525 |
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.1576 |
| SMILES | COCC(CC#C)N |
| Synonyms | 1-methoxypent-4-yn-2-amine,
1247755-05-0,
AKOS011516637,
Z2692095268,
|
| Complexity | 91.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.084064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.16g/mol |
| Monoisotopic Mass | 113.084064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number