| CAS Number | 879488-16-1 |
| Catalog Number | AG00IEU3(AGN-PC-0CAAS5) |
| Chemical Name | Morpholine, 4-[2-(4-iodo-1H-pyrazol-1-yl)ethyl]- |
| IUPAC Name | 4-[2-(4-iodopyrazol-1-yl)ethyl]morpholine |
| InChI | InChI=1S/C9H14IN3O/c10-9-7-11-13(8-9)2-1-12-3-5-14-6-4-12/h7-8H,1-6H2 |
| InChI Key | OFEXBLPGEKTFGY-UHFFFAOYSA-N |
| MDL Number | MFCD17167293 |
| Molecular Formula | C9H14IN3O |
| Molecular Weight | 307.1314 |
| SMILES | IC1=CN(CCN2CCOCC2)N=C1 |
| Synonyms | 879488-16-1,
4-(2-(4-Iodo-1H-pyrazol-1-yl)ethyl)morpholine,
4-[2-(4-Iodo-1H-pyrazol-1-yl)ethyl]morpholine,
SCHEMBL5198308,
OFEXBLPGEKTFGY-UHFFFAOYSA-N,
MFCD17167293,
ZINC70679537,
AKOS013752389,
4-Iodo-1-(2-Morpholinoethyl)-1H-pyrazole,
4-[2-(4-IODOPYRAZOL-1-YL)ETHYL]MORPHOLINE,
Morpholine, 4-[2-(4-iodo-1H-pyrazol-1-yl)ethyl]-,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.135g/mol |
| Monoisotopic Mass | 307.018g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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