| CAS Number | 123856-34-8 |
| Catalog Number | AG009X16(AGN-PC-0WNOCY) |
| Chemical Name | 3-Amino-4-(cyclohexylamino)benzonitrile |
| IUPAC Name | 3-amino-4-(cyclohexylamino)benzonitrile |
| InChI | InChI=1S/C13H17N3/c14-9-10-6-7-13(12(15)8-10)16-11-4-2-1-3-5-11/h6-8,11,16H,1-5,15H2 |
| InChI Key | OEZUJPYAPODPJG-UHFFFAOYSA-N |
| MDL Number | MFCD12189558 |
| Molecular Formula | C13H17N3 |
| Molecular Weight | 215.2942 |
| SMILES | N#Cc1ccc(c(c1)N)NC1CCCCC1 |
| Synonyms | 3-amino-4-(cyclohexylamino)benzonitrile,
123856-34-8,
SCHEMBL6644188,
OEZUJPYAPODPJG-UHFFFAOYSA-N,
KM3578,
ZINC35674285,
CJ-18827,
Z8734,
C13H17N3,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.3g/mol |
| Monoisotopic Mass | 215.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number