| CAS Number | 2055119-27-0 |
| Catalog Number | AG00I3X2(AGN-PC-0WQWUQ) |
| Chemical Name | 4-[2-(2-Methyl-4-nitrophenoxy)ethyl]morpholine |
| IUPAC Name | 4-[2-(2-methyl-4-nitrophenoxy)ethyl]morpholine |
| InChI | InChI=1S/C13H18N2O4/c1-11-10-12(15(16)17)2-3-13(11)19-9-6-14-4-7-18-8-5-14/h2-3,10H,4-9H2,1H3 |
| InChI Key | ANPLGKCFHOBBTB-UHFFFAOYSA-N |
| MDL Number | MFCD30527645 |
| Molecular Formula | C13H18N2O4 |
| Molecular Weight | 266.2930 |
| SMILES | Cc1cc(ccc1OCCN1CCOCC1)[N+](=O)[O-] |
| Synonyms | 4-[2-(2-Methyl-4-nitrophenoxy)ethyl]morpholine,
2055119-27-0,
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| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.297g/mol |
| Monoisotopic Mass | 266.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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