| CAS Number | 197507-52-1 |
| Catalog Number | AG002AV2(AGN-PC-024VIT) |
| Chemical Name | 2-(Diethylamino)benzonitrile |
| IUPAC Name | 2-(diethylamino)benzonitrile |
| InChI | InChI=1S/C11H14N2/c1-3-13(4-2)11-8-6-5-7-10(11)9-12/h5-8H,3-4H2,1-2H3 |
| InChI Key | YWJQYHVWROTJNW-UHFFFAOYSA-N |
| MDL Number | MFCD11155678 |
| Molecular Formula | C11H14N2 |
| Molecular Weight | 174.2423 |
| SMILES | CCN(c1ccccc1C#N)CC |
| Synonyms | 2-(Diethylamino)benzonitrile,
197507-52-1,
ACMC-209f19,
SCHEMBL2560142,
CTK8B1121,
Benzonitrile, 2-(diethylamino)-,
DTXSID40597060,
ANW-23755,
MFCD11155678,
ZINC20075931,
AKOS000261105,
CJ-16537,
TC-112500,
V4108,
B-8966,
C11H14N2,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.247g/mol |
| Monoisotopic Mass | 174.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number