| CAS Number | 926271-03-6 |
| Catalog Number | AG019MMW |
| Chemical Name | 6-(2,6-Dimethylmorpholin-4-yl)pyridine-3-carboxylic acid |
| IUPAC Name | 6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H16N2O3/c1-8-6-14(7-9(2)17-8)11-4-3-10(5-13-11)12(15)16/h3-5,8-9H,6-7H2,1-2H3,(H,15,16) |
| InChI Key | ZABGXMCXGREUAJ-UHFFFAOYSA-N |
| MDL Number | MFCD09047840 |
| Molecular Formula | C12H16N2O3 |
| Molecular Weight | 236.2670 |
| SMILES | O=C(C1=CC=C(N2CC(C)OC(C)C2)N=C1)O |
| Synonyms | 6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid,
926271-03-6,
6-(2,6-dimethylmorpholin-4-yl)nicotinic acid,
SCHEMBL8514831,
CTK6C5295,
AKOS000131312,
AKOS016902438,
MCULE-7801552343,
NE18049,
EN300-36660,
Z380844546,
AC1Q2RD3,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.116092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.27g/mol |
| Monoisotopic Mass | 236.116092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.7Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number