| CAS Number | 66937-72-2 |
| Catalog Number | AG01B53X |
| Chemical Name | tert-butyl 2-[(prop-2-yn-1-yl)amino]acetate |
| IUPAC Name | tert-butyl 2-(prop-2-ynylamino)acetate |
| InChI | InChI=1S/C9H15NO2/c1-5-6-10-7-8(11)12-9(2,3)4/h1,10H,6-7H2,2-4H3 |
| InChI Key | FHRJHJLYLHPRPU-UHFFFAOYSA-N |
| MDL Number | MFCD12148725 |
| Molecular Formula | C9H15NO2 |
| Molecular Weight | 169.2209 |
| SMILES | O=C(OC(C)(C)C)CNCC#C |
| Synonyms | 66937-72-2,
tert-Butyl 2-(prop-2-yn-1-ylamino)acetate,
tert-butyl 2-[(prop-2-yn-1-yl)amino]acetate,
SCHEMBL1278083,
ZINC37394283,
AKOS009051191,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.224g/mol |
| Monoisotopic Mass | 169.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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