| CAS Number | 936210-51-4 |
| Catalog Number | AG01BFAJ |
| Chemical Name | 4-Methyl-3-(morpholine-4-carbonyl)aniline |
| IUPAC Name | (5-amino-2-methylphenyl)-morpholin-4-ylmethanone |
| InChI | InChI=1S/C12H16N2O2/c1-9-2-3-10(13)8-11(9)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7,13H2,1H3 |
| InChI Key | XMGSXDJSRGQATH-UHFFFAOYSA-N |
| MDL Number | MFCD14618163 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | CC1=C(C(N2CCOCC2)=O)C=C(N)C=C1 |
| Synonyms | 4-methyl-3-(morpholine-4-carbonyl)aniline,
936210-51-4,
SCHEMBL17979877,
ZINC41031609,
AKOS010543239,
NE39121,
Z1889861362,
|
| Complexity | 251 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number