| CAS Number | 1249409-60-6 |
| Catalog Number | AG01A220 |
| Chemical Name | 2-(2-Aminophenoxy)propanenitrile |
| IUPAC Name | 2-(2-aminophenoxy)propanenitrile |
| InChI | InChI=1S/C9H10N2O/c1-7(6-10)12-9-5-3-2-4-8(9)11/h2-5,7H,11H2,1H3 |
| InChI Key | LHBLGQAYNDKKOS-UHFFFAOYSA-N |
| MDL Number | MFCD16077305 |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.1885 |
| SMILES | CC(C#N)OC1=C(N)C=CC=C1 |
| Synonyms | 2-(2-aminophenoxy)propanenitrile,
1249409-60-6,
AKOS010957115,
NE24380,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.192g/mol |
| Monoisotopic Mass | 162.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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