| CAS Number | 274686-22-5 |
| Catalog Number | AG018S7Q(AGN-PC-0A0M3H) |
| Chemical Name | (2-Methyl-1,3-dioxan-2-yl)methanamine |
| IUPAC Name | (2-methyl-1,3-dioxan-2-yl)methanamine |
| InChI | InChI=1S/C6H13NO2/c1-6(5-7)8-3-2-4-9-6/h2-5,7H2,1H3 |
| InChI Key | IOKSMCQYNCJYHC-UHFFFAOYSA-N |
| MDL Number | MFCD16295467 |
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.1729 |
| SMILES | CC1(OCCCO1)CN |
| Synonyms | (2-methyl-1,3-dioxan-2-yl)methanamine,
274686-22-5,
SCHEMBL5678718,
ZINC41125616,
AKOS017516347,
NE15964,
F8888-5698,
|
| Complexity | 89.1 |
| 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 | 1 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number