| CAS Number | 1104467-53-9 |
| Catalog Number | AG00HBPZ(AGN-PC-0WRA2V) |
| Chemical Name | 5-[2-(morpholin-4-yl)ethoxy]-2-nitroaniline |
| IUPAC Name | 5-(2-morpholin-4-ylethoxy)-2-nitroaniline |
| InChI | InChI=1S/C12H17N3O4/c13-11-9-10(1-2-12(11)15(16)17)19-8-5-14-3-6-18-7-4-14/h1-2,9H,3-8,13H2 |
| InChI Key | AUXNHAZTDUTSHK-UHFFFAOYSA-N |
| MDL Number | MFCD25955485 |
| Molecular Formula | C12H17N3O4 |
| Molecular Weight | 267.2811 |
| SMILES | [O-][N+](=O)c1ccc(cc1N)OCCN1CCOCC1 |
| Synonyms | 1104467-53-9,
5-(2-Morpholinoethoxy)-2-nitroaniline,
5-(2-morpholin-4-ylethoxy)-2-nitrophenylamine,
5-[2-(morpholin-4-yl)ethoxy]-2-nitroaniline,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.121906g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.28g/mol |
| Monoisotopic Mass | 267.121906g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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