| CAS Number | 1052642-90-6 |
| Catalog Number | AG00HAMK(AGN-PC-0WB505) |
| Chemical Name | 2-[(Sec-butylamino)carbonyl]cyclohexanecarboxylic acid |
| IUPAC Name | 2-(butan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C12H21NO3/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16) |
| InChI Key | WMPANUWJMFSCAC-UHFFFAOYSA-N |
| MDL Number | MFCD06066204 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | C(=O)(NC(C)CC)C1CCCCC1C(O)=O |
| Synonyms | 1052642-90-6,
2-[(SEC-BUTYLAMINO)CARBONYL]CYCLOHEXANECARBOXYLIC ACID,
2-(sec-Butylcarbamoyl)cyclohexanecarboxylic acid,
2-(butan-2-ylcarbamoyl)cyclohexanecarboxylic acid,
SCHEMBL12927412,
ALBB-012075,
ZX-AN010883,
ZX-CM017854,
BBL037018,
MFCD06066204,
STL508161,
AKOS003490922,
AKOS016345706,
Y-2054,
2-[(sec-butyl)carbamoyl]cyclohexane-1-carboxylic acid,
cyclohexanecarboxylic acid, 2-[[(1-methylpropyl)amino]carbonyl]-,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.304g/mol |
| Monoisotopic Mass | 227.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number