| CAS Number | 10286-53-0 |
| Catalog Number | AG009MU7(AGN-PC-02KN79) |
| Chemical Name | 2-(Cyclohexylamino)benzoic acid |
| IUPAC Name | 2-(cyclohexylamino)benzoic acid |
| InChI | InChI=1S/C13H17NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2,(H,15,16) |
| InChI Key | JSXMFCCPQQJLCR-UHFFFAOYSA-N |
| MDL Number | MFCD01788119 |
| Molecular Formula | C13H17NO2 |
| Molecular Weight | 219.2796 |
| SMILES | OC(C1=C(NC2CCCCC2)C=CC=C1)=O |
| Synonyms | 2-(cyclohexylamino)benzoic acid,
10286-53-0,
2-CYCLOHEXYLAMINO-BENZOIC ACID,
Oprea1_006076,
SCHEMBL3274851,
DTXSID60600368,
KS-00003TL8,
ZINC21999434,
AKOS009313819,
DB07038,
AJ-80046,
TS-03143,
Z1945984208,
3B4,
D08XCD,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.284g/mol |
| Monoisotopic Mass | 219.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number