| CAS Number | 933749-31-6 |
| Catalog Number | AG01DWVS |
| Chemical Name | 2-(1,4-Dioxan-2-yl)ethanamine |
| IUPAC Name | 2-(1,4-dioxan-2-yl)ethanamine |
| InChI | InChI=1S/C6H13NO2/c7-2-1-6-5-8-3-4-9-6/h6H,1-5,7H2 |
| InChI Key | WEHDGOQZWAEHDK-UHFFFAOYSA-N |
| MDL Number | MFCD19374397 |
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.1729 |
| SMILES | O1CCOCC1CCN |
| Synonyms | 2-(1,4-dioxan-2-yl)ethanamine,
2-(1,4-dioxan-2-yl)ethan-1-amine,
933749-31-6,
SCHEMBL4445808,
AKOS022421592,
|
| Complexity | 77.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.175g/mol |
| Monoisotopic Mass | 131.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number