| CAS Number | 2475-77-6 |
| Catalog Number | AG002PBL(AGN-PC-00LJQN) |
| Chemical Name | 2-Amino-5-tert-butylbenzoic acid |
| IUPAC Name | 2-amino-5-tert-butylbenzoic acid |
| InChI | InChI=1S/C11H15NO2/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6H,12H2,1-3H3,(H,13,14) |
| InChI Key | ULCQYHAVDRBIAG-UHFFFAOYSA-N |
| MDL Number | MFCD05664858 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | O=C(O)C1=CC(C(C)(C)C)=CC=C1N |
| Synonyms | 2-amino-5-tert-butylbenzoic acid,
2475-77-6,
Benzoic acid, 2-amino-5-(1,1-dimethylethyl)-,
2-Amino-5-tert-butyl-benzoic acid,
AC1Q1LVJ,
SCHEMBL1827375,
CTK0J4618,
DTXSID00529549,
ZINC2548691,
MFCD05664858,
AKOS008118999,
MCULE-2165348629,
NE29131,
AJ-39551,
EN300-52722,
2-Amino-5-tert-butyl-benzoic acid, AldrichCPR,
A57782,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.246g/mol |
| Monoisotopic Mass | 193.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number