| CAS Number | 154551-48-1 |
| Catalog Number | AG019WVG(AGN-PC-0JP5X7) |
| Chemical Name | 2-amino-3-(propan-2-yl)benzoic acid |
| IUPAC Name | 2-amino-3-propan-2-ylbenzoic acid |
| InChI | InChI=1S/C10H13NO2/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-6H,11H2,1-2H3,(H,12,13) |
| InChI Key | VSDBREZLAHYQJY-UHFFFAOYSA-N |
| MDL Number | MFCD11193639 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| NSC Number | 135173 |
| SMILES | NC1=C(C(=O)O)C=CC=C1C(C)C |
| Synonyms | 2-amino-3-(propan-2-yl)benzoic acid,
2-AMINO-3-ISOPROPYLBENZOIC ACID,
154551-48-1,
NSC135173,
AC1L5VOM,
AC1Q1OC3,
SCHEMBL5432827,
CTK6A5525,
2-amino-3-propan-2-ylbenzoic acid,
ZINC1721765,
AKOS009259854,
MCULE-1358615580,
NSC-135173,
EN300-53267,
Z803145492,
CID282087,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number