| CAS Number | 5369-21-1 |
| Catalog Number | AG00DS4F(AGN-PC-006QS0) |
| Chemical Name | 3-Cyclohexylbenzenamine |
| IUPAC Name | 3-cyclohexylaniline |
| InChI | InChI=1S/C12H17N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6,13H2 |
| InChI Key | KKHJTHLWDZQCFP-UHFFFAOYSA-N |
| MDL Number | MFCD11899181 |
| Molecular Formula | C12H17N |
| Molecular Weight | 175.2701 |
| SMILES | c1cc(cc(c1)N)C2CCCCC2 |
| Synonyms | 3-cyclohexylaniline,
5369-21-1,
Benzenamine, 3-cyclohexyl-,
SCHEMBL1176491,
KKHJTHLWDZQCFP-UHFFFAOYSA-N,
ZINC33487382,
AKOS015946747,
Benzenamine,3-cyclohexyl-,
CID11321261,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.275g/mol |
| Monoisotopic Mass | 175.136g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number