| CAS Number | 886360-67-4 |
| Catalog Number | AG00IU6P(AGN-PC-0WAU6M) |
| Chemical Name | 6-(2,6-Dimethylmorpholino)nicotinaldehyde |
| IUPAC Name | 6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carbaldehyde |
| InChI | InChI=1S/C12H16N2O2/c1-9-6-14(7-10(2)16-9)12-4-3-11(8-15)5-13-12/h3-5,8-10H,6-7H2,1-2H3 |
| InChI Key | QJKIFMOLBXODKC-UHFFFAOYSA-N |
| MDL Number | MFCD00173504 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | CC1OC(CN(C1)C1=NC=C(C=O)C=C1)C |
| Synonyms | 6-(2,6-dimethylmorpholino)nicotinaldehyde,
6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carbaldehyde,
886360-67-4,
AC1MC93X,
dimethylmorpholinonicotinaldehyde,
SCHEMBL14636353,
CTK7H9618,
QJKIFMOLBXODKC-UHFFFAOYSA-N,
KS-00001X4I,
MFCD04973726,
SBB095984,
AKOS005070471,
RP12752,
TR-063445,
C-4311,
4X-0716,
CID2763982,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number