| CAS Number | 69293-74-9 |
| Catalog Number | AG00IBX7(AGN-PC-04PQQ1) |
| Chemical Name | Benzonitrile, 4-[(diethylamino)methyl]- |
| IUPAC Name | 4-(diethylaminomethyl)benzonitrile |
| InChI | InChI=1S/C12H16N2/c1-3-14(4-2)10-12-7-5-11(9-13)6-8-12/h5-8H,3-4,10H2,1-2H3 |
| InChI Key | XWLYXADFVFHUKA-UHFFFAOYSA-N |
| MDL Number | MFCD09948026 |
| Molecular Formula | C12H16N2 |
| Molecular Weight | 188.2688 |
| SMILES | N#CC1=CC=C(CN(CC)CC)C=C1 |
| Synonyms | 4-[(Diethylamino)methyl]benzonitrile,
69293-74-9,
Benzonitrile, 4-[(diethylamino)methyl]-,
SCHEMBL541669,
CTK1J1246,
DTXSID70640952,
4-[diethylaminomethyl]benzonitrile,
XWLYXADFVFHUKA-UHFFFAOYSA-N,
MFCD09948026,
ZINC19513245,
AKOS000193457,
J3.657.909I,
4-(diethylaminomethyl)benzonitrile,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.274g/mol |
| Monoisotopic Mass | 188.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number