| CAS Number | 7223-47-4 |
| Catalog Number | AG01BU76(AGN-PC-0NCNQA) |
| Chemical Name | 2-[(2-Hydroxyethyl)(prop-2-yn-1-yl)amino]ethan-1-ol |
| IUPAC Name | 2-[2-hydroxyethyl(prop-2-ynyl)amino]ethanol |
| InChI | InChI=1S/C7H13NO2/c1-2-3-8(4-6-9)5-7-10/h1,9-10H,3-7H2 |
| InChI Key | QJINTNRMWKIUTO-UHFFFAOYSA-N |
| MDL Number | MFCD14631479 |
| Molecular Formula | C7H13NO2 |
| Molecular Weight | 143.1836 |
| SMILES | OCCN(CC#C)CCO |
| Synonyms | 2-[(2-hydroxyethyl)(prop-2-yn-1-yl)amino]ethan-1-ol,
7223-47-4,
2,2'-(prop-2-yn-1-ylazanediyl)diethanol,
SCHEMBL3092738,
ZINC41636087,
AKOS009063783,
Z138130118,
CID10909681,
2-(2-hydroxyethyl-prop-2-ynyl-amino)ethanol,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.186g/mol |
| Monoisotopic Mass | 143.095g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number