| CAS Number | 99216-79-2 |
| Catalog Number | AG005SZT(AGN-PC-0KKO36) |
| Chemical Name | 1-[(4-methylphenyl)amino]cyclohexanecarboxylic acid |
| IUPAC Name | 1-(4-methylanilino)cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C14H19NO2/c1-11-5-7-12(8-6-11)15-14(13(16)17)9-3-2-4-10-14/h5-8,15H,2-4,9-10H2,1H3,(H,16,17) |
| InChI Key | WNPOXUUMAKKPEQ-UHFFFAOYSA-N |
| MDL Number | MFCD04116949 |
| Molecular Formula | C14H19NO2 |
| Molecular Weight | 233.3062 |
| SMILES | C1(CCCCC1)(NC1C=CC(=CC=1)C)C(O)=O |
| Synonyms | 99216-79-2,
1-p-Tolylamino-cyclohexanecarboxylic acid,
1-[(4-methylphenyl)amino]cyclohexanecarboxylic acid,
1-p-tolylamino cyclohexanecarboxylic acid,
1-(P-Tolylamino)cyclohexanecarboxylic acid,
AC1MC34W,
CTK5I0291,
DTXSID50375275,
ZINC4244961,
ZX-CM014652,
MFCD04116949,
AKOS005797079,
BC4247328,
BB 0248461,
Y-1228,
1-(4-methylanilino)cyclohexane-1-carboxylic acid,
Not Available,
CID2760639,
1-P-TOLYLAMINO-CYCLOHEXANECARBOXYLICACID,
1-[(4-methylphenyl)amino]cyclohexane-1-carboxylic Acid,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.311g/mol |
| Monoisotopic Mass | 233.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number