| CAS Number | 1157685-94-3 |
| Catalog Number | AG01A898 |
| Chemical Name | 2-[4-(cyclohexylamino)phenyl]acetonitrile |
| IUPAC Name | 2-[4-(cyclohexylamino)phenyl]acetonitrile |
| InChI | InChI=1S/C14H18N2/c15-11-10-12-6-8-14(9-7-12)16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10H2 |
| InChI Key | GTEHIRQTNHTJRU-UHFFFAOYSA-N |
| MDL Number | MFCD12038984 |
| Molecular Formula | C14H18N2 |
| Molecular Weight | 214.3061 |
| SMILES | N#CCC1=CC=C(NC2CCCCC2)C=C1 |
| Synonyms | 2-[4-(cyclohexylamino)phenyl]acetonitrile,
1157685-94-3,
EN300-61066,
AC1Q4S13,
CTK7C9744,
ZINC37071381,
AKOS009909106,
MCULE-1411853791,
NE60372,
BC4219764,
Z636646676,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.312g/mol |
| Monoisotopic Mass | 214.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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