| CAS Number | 1019600-58-8 |
| Catalog Number | AG01A7XG |
| Chemical Name | 4-[(2-Methoxyethyl)amino]benzonitrile |
| IUPAC Name | 4-(2-methoxyethylamino)benzonitrile |
| InChI | InChI=1S/C10H12N2O/c1-13-7-6-12-10-4-2-9(8-11)3-5-10/h2-5,12H,6-7H2,1H3 |
| InChI Key | SHRMGYFIADUFLE-UHFFFAOYSA-N |
| MDL Number | MFCD11135500 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.2151 |
| SMILES | COCCNC1=CC=C(C#N)C=C1 |
| Synonyms | 4-[(2-methoxyethyl)amino]benzonitrile,
1019600-58-8,
4-((2-methoxyethyl)amino)benzonitrile,
AC1Q4G5D,
SCHEMBL15717884,
CTK7B3519,
SHRMGYFIADUFLE-UHFFFAOYSA-N,
ZINC19867423,
AKOS000218460,
MCULE-2352448042,
NE20470,
EN300-60086,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.219g/mol |
| Monoisotopic Mass | 176.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number