| CAS Number | 204079-15-2 |
| Catalog Number | AG01B6FO(AGN-PC-040T3Z) |
| Chemical Name | 2-(Cyclobutylamino)benzonitrile |
| IUPAC Name | 2-(cyclobutylamino)benzonitrile |
| InChI | InChI=1S/C11H12N2/c12-8-9-4-1-2-7-11(9)13-10-5-3-6-10/h1-2,4,7,10,13H,3,5-6H2 |
| InChI Key | JXDOXDIPGYSKIS-UHFFFAOYSA-N |
| MDL Number | MFCD16107957 |
| Molecular Formula | C11H12N2 |
| Molecular Weight | 172.2264 |
| SMILES | N#CC1=C(NC2CCC2)C=CC=C1 |
| Synonyms | 2-(cyclobutylamino)benzonitrile,
204079-15-2,
2-Cyclobutylaminobenzonitrile,
SCHEMBL7526224,
JXDOXDIPGYSKIS-UHFFFAOYSA-N,
ZINC44480078,
AKOS011050094,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.100048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.23g/mol |
| Monoisotopic Mass | 172.100048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number