| CAS Number | 1803600-81-8 |
| Catalog Number | AG01AGEV(AGN-PC-0WORNH) |
| Chemical Name | 2-(1-Ethyl-1H-pyrazol-4-yl)morpholine |
| IUPAC Name | 2-(1-ethylpyrazol-4-yl)morpholine |
| InChI | InChI=1S/C9H15N3O/c1-2-12-7-8(5-11-12)9-6-10-3-4-13-9/h5,7,9-10H,2-4,6H2,1H3 |
| InChI Key | NNXXVEMRVABLIR-UHFFFAOYSA-N |
| MDL Number | MFCD28023702 |
| Molecular Formula | C9H15N3O |
| Molecular Weight | 181.2349 |
| SMILES | CCN1C=C(C=N1)C2CNCCO2 |
| Synonyms | 2-(1-ethyl-1H-pyrazol-4-yl)morpholine,
1803600-81-8,
AKOS026741890,
Z1891777161,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.239g/mol |
| Monoisotopic Mass | 181.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
Lot Number