| CAS Number | 1249691-27-7 |
| Catalog Number | AG019SCY |
| Chemical Name | 3-[(2,2-dimethylpropyl)amino]-2-methylbenzoic acid |
| IUPAC Name | 3-(2,2-dimethylpropylamino)-2-methylbenzoic acid |
| InChI | InChI=1S/C13H19NO2/c1-9-10(12(15)16)6-5-7-11(9)14-8-13(2,3)4/h5-7,14H,8H2,1-4H3,(H,15,16) |
| InChI Key | LMHUAURLHAKNDX-UHFFFAOYSA-N |
| MDL Number | MFCD14625245 |
| Molecular Formula | C13H19NO2 |
| Molecular Weight | 221.2955 |
| SMILES | CC1=C(C(O)=O)C=CC=C1NCC(C)(C)C |
| Synonyms | 3-[(2,2-dimethylpropyl)amino]-2-methylbenzoic acid,
1249691-27-7,
ZINC41051351,
AKOS010580137,
MCULE-2081683561,
NE20014,
EN300-93184,
Z1268152291,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.3g/mol |
| Monoisotopic Mass | 221.142g/mol |
| Rotatable Bond Count | 4 |
| 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
Certificate of Analysis
Lot Number