| CAS Number | 175666-56-5 |
| Catalog Number | AG01EH9L(AGN-PC-040T1C) |
| Chemical Name | 2-[(2-Hydroxyethyl)amino]benzonitrile |
| IUPAC Name | 2-(2-hydroxyethylamino)benzonitrile |
| InChI | InChI=1S/C9H10N2O/c10-7-8-3-1-2-4-9(8)11-5-6-12/h1-4,11-12H,5-6H2 |
| InChI Key | AAEHXPNLWJUOJM-UHFFFAOYSA-N |
| MDL Number | MFCD11153022 |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.1885 |
| SMILES | OCCNc1ccccc1C#N |
| Synonyms | 2-[(2-Hydroxyethyl)amino]benzonitrile,
2-(2-Hydroxyethylamino)benzonitrile,
175666-56-5,
SCHEMBL7528112,
AAEHXPNLWJUOJM-UHFFFAOYSA-N,
AKOS000253986,
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| Complexity | 173 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.192g/mol |
| Monoisotopic Mass | 162.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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