| CAS Number | 864266-46-6 |
| Catalog Number | AG00IE26(AGN-PC-0WOJMO) |
| Chemical Name | 6-(Cyclohexylamino)pyridine-3-carbonitrile |
| IUPAC Name | 6-(cyclohexylamino)pyridine-3-carbonitrile |
| InChI | InChI=1S/C12H15N3/c13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h6-7,9,11H,1-5H2,(H,14,15) |
| InChI Key | XCBTYAFGHLCLJM-UHFFFAOYSA-N |
| MDL Number | MFCD09932249 |
| Molecular Formula | C12H15N3 |
| Molecular Weight | 201.2676 |
| SMILES | N#Cc1ccc(nc1)NC1CCCCC1 |
| Synonyms | 6-(cyclohexylamino)pyridine-3-carbonitrile,
864266-46-6,
SCHEMBL507198,
6-Cyclohexylamino-nicotinonitrile,
XCBTYAFGHLCLJM-UHFFFAOYSA-N,
KM2408,
ZINC12913654,
AKOS000175611,
MCULE-2819458128,
CJ-14231,
V8194,
3-Pyridinecarbonitrile, 6-(cyclohexylamino)-,
C12H15N3,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.273g/mol |
| Monoisotopic Mass | 201.127g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number