| CAS Number | 1248404-06-9 |
| Catalog Number | AG01B75X |
| Chemical Name | (but-3-yn-1-yl)(2-methoxyethyl)amine |
| IUPAC Name | N-(2-methoxyethyl)but-3-yn-1-amine |
| InChI | InChI=1S/C7H13NO/c1-3-4-5-8-6-7-9-2/h1,8H,4-7H2,2H3 |
| InChI Key | YREFPOJIEPFLHB-UHFFFAOYSA-N |
| MDL Number | MFCD16683238 |
| Molecular Formula | C7H13NO |
| Molecular Weight | 127.1842 |
| SMILES | COCCNCCC#C |
| Synonyms | (but-3-yn-1-yl)(2-methoxyethyl)amine,
1248404-06-9,
ZINC49832394,
AKOS010954695,
Z840366364,
|
| Complexity | 92.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.187g/mol |
| Monoisotopic Mass | 127.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number