| CAS Number | 857070-96-3 |
| Catalog Number | AG00G4OL(AGN-PC-0V1ZC3) |
| Chemical Name | 3-[cis-2,6-dimethyl-4-morpholinyl]-1-propanamine |
| IUPAC Name | 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-amine |
| InChI | InChI=1S/C9H20N2O/c1-8-6-11(5-3-4-10)7-9(2)12-8/h8-9H,3-7,10H2,1-2H3/t8-,9+ |
| InChI Key | NIFZHABTMWBHTG-DTORHVGOSA-N |
| MDL Number | MFCD18381930 |
| Molecular Formula | C9H20N2O |
| Molecular Weight | 172.2679 |
| SMILES | N1(CCCN)C[C@H](C)O[C@H](C)C1 |
| Synonyms | 857070-96-3,
3-[(2R*,6S*)-2,6-Dimethyl-4-morpholinyl]-1-propanamine,
SCHEMBL8285805,
FCH898586,
MFCD18381930,
ZINC12505388,
AKOS006317746,
AJ-62517,
BBV-38335586,
Y-7897,
3-[cis-2,6-dimethyl-4-morpholinyl]-1-propanamine,
3-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-1-propanamine(SALTDATA,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.272g/mol |
| Monoisotopic Mass | 172.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number