| CAS Number | 1214108-42-5 |
| Catalog Number | AG019XA8 |
| Chemical Name | 2-(2,6-Dimethylmorpholin-4-yl)-3-methylbutanoic acid hydrochloride |
| IUPAC Name | 2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid;hydrochloride |
| InChI | InChI=1S/C11H21NO3.ClH/c1-7(2)10(11(13)14)12-5-8(3)15-9(4)6-12;/h7-10H,5-6H2,1-4H3,(H,13,14);1H |
| InChI Key | CEWMNYAOZNZJFR-UHFFFAOYSA-N |
| MDL Number | MFCD13196070 |
| Molecular Formula | C11H22ClNO3 |
| Molecular Weight | 251.7503 |
| SMILES | Cl.CC(C(C(O)=O)N1CC(C)OC(C)C1)C |
| Synonyms | 2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid hydrochloride,
1214108-42-5,
AC1Q390Z,
CTK6C5271,
AKOS008115965,
MCULE-4923807831,
NE21083,
EN300-54474,
Z818727158,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.751g/mol |
| Monoisotopic Mass | 251.129g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number