| CAS Number | 173316-38-6 |
| Catalog Number | AG001YSD(AGN-PC-0N654B) |
| Chemical Name | 2-(Cyclopentylamino)benzonitrile |
| IUPAC Name | 2-(cyclopentylamino)benzonitrile |
| InChI | InChI=1S/C12H14N2/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7H2 |
| InChI Key | HQNZERYGSHXNGF-UHFFFAOYSA-N |
| MDL Number | MFCD11144623 |
| Molecular Formula | C12H14N2 |
| Molecular Weight | 186.2530 |
| SMILES | N#Cc1ccccc1NC1CCCC1 |
| Synonyms | 2-(cyclopentylamino)benzonitrile,
173316-38-6,
ACMC-209e6d,
2-Cyclopentylaminobenzonitrile,
SCHEMBL2666741,
CTK8B1002,
DTXSID50441368,
HQNZERYGSHXNGF-UHFFFAOYSA-N,
ANW-22643,
Benzonitrile, 2-(cyclopentylamino)-,
MFCD11144623,
ZINC19921382,
AKOS000235756,
CJ-16496,
TC-111388,
V3784,
B-8846,
C12H14N2,
CID10535560,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.258g/mol |
| Monoisotopic Mass | 186.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number