| CAS Number | 1156075-58-9 |
| Catalog Number | AG019PSE |
| Chemical Name | 2-(4-amino-1H-pyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethan-1-one |
| IUPAC Name | 2-(4-aminopyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone |
| InChI | InChI=1S/C11H18N4O2/c1-8-4-14(5-9(2)17-8)11(16)7-15-6-10(12)3-13-15/h3,6,8-9H,4-5,7,12H2,1-2H3 |
| InChI Key | BYKOJYWWZVQXCU-UHFFFAOYSA-N |
| MDL Number | MFCD12528863 |
| Molecular Formula | C11H18N4O2 |
| Molecular Weight | 238.2862 |
| SMILES | CC1OC(C)CN(C(CN2N=CC(N)=C2)=O)C1 |
| Synonyms | 2-(4-amino-1H-pyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethan-1-one,
1156075-58-9,
AKOS005830697,
MCULE-9230282525,
NE38619,
EN300-86330,
Z1720374375,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.291g/mol |
| Monoisotopic Mass | 238.143g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number