| CAS Number | 28123-89-9 |
| Catalog Number | AG007LCH(AGN-PC-05DMJR) |
| Chemical Name | 2-(Prop-2-yn-1-ylamino)ethan-1-ol |
| IUPAC Name | 2-(prop-2-ynylamino)ethanol |
| InChI | InChI=1S/C5H9NO/c1-2-3-6-4-5-7/h1,6-7H,3-5H2 |
| InChI Key | VNZRQMZOCPCQFL-UHFFFAOYSA-N |
| MDL Number | MFCD11149754 |
| Molecular Formula | C5H9NO |
| Molecular Weight | 99.1311 |
| SMILES | C(C#C)NCCO |
| Synonyms | 2-[(Prop-2-yn-1-yl)amino]ethan-1-ol,
28123-89-9,
Ethanol, 2-(2-propynylamino)-,
N-(prop-2-ynyl)-N-(2-hydroxyethyl)amine,
2-(Propargylamino)ethanol,
CTK0I5320,
DTXSID50651501,
VNZRQMZOCPCQFL-UHFFFAOYSA-N,
2-(prop-2-yn-1-ylamino)ethanol,
ZINC20033521,
AKOS000247498,
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| Complexity | 71.4 |
| 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 | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
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Certificate of Analysis
Lot Number