| CAS Number | 28340-72-9 |
| Catalog Number | AG01EB3U(AGN-PC-00MT7C) |
| Chemical Name | 2-Amino-4-(4-morpholinyl)benzonitrile |
| IUPAC Name | 2-amino-4-morpholin-4-ylbenzonitrile |
| InChI | InChI=1S/C11H13N3O/c12-8-9-1-2-10(7-11(9)13)14-3-5-15-6-4-14/h1-2,7H,3-6,13H2 |
| InChI Key | CFOWPTBVYZGHFL-UHFFFAOYSA-N |
| MDL Number | MFCD22047542 |
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.2404 |
| SMILES | NC1=C(C#N)C=CC(=C1)N1CCOCC1 |
| Synonyms | 28340-72-9,
Benzonitrile, 2-amino-4-(4-morpholinyl)-,
SCHEMBL81970,
2-amino-4-morpholinobenzonitrile,
CFOWPTBVYZGHFL-UHFFFAOYSA-N,
AKOS018592976,
2-Amino-4-(4-morpholinyl)benzonitrile,
2-Amino-4-(morpholin-4-yl)benzonitrile,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.245g/mol |
| Monoisotopic Mass | 203.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.3A^2 |
| 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
Lot Number