| CAS Number | 737745-17-4 |
| Catalog Number | AG01ADHF |
| Chemical Name | 2-[2-(Methylamino)ethoxy]benzonitrile |
| IUPAC Name | 2-[2-(methylamino)ethoxy]benzonitrile |
| InChI | InChI=1S/C10H12N2O/c1-12-6-7-13-10-5-3-2-4-9(10)8-11/h2-5,12H,6-7H2,1H3 |
| InChI Key | VGIGDXMPHKGACG-UHFFFAOYSA-N |
| MDL Number | MFCD11199931 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.2151 |
| SMILES | CNCCOC1=C(C#N)C=CC=C1 |
| Synonyms | 2-[2-(methylamino)ethoxy]benzonitrile,
737745-17-4,
Benzonitrile, 2-[2-(methylamino)ethoxy]-,
SCHEMBL524176,
VGIGDXMPHKGACG-UHFFFAOYSA-N,
ZINC20524927,
BBV-253251,
EN300-145630,
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| Complexity | 185 |
| 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
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