| CAS Number | 2486-74-0 |
| Catalog Number | AG01EB87(AGN-PC-01N08B) |
| Chemical Name | 4-Amino-2-ethylbenzoic acid |
| IUPAC Name | 4-amino-2-ethylbenzoic acid |
| InChI | InChI=1S/C9H11NO2/c1-2-6-5-7(10)3-4-8(6)9(11)12/h3-5H,2,10H2,1H3,(H,11,12) |
| InChI Key | WDTLFYSTDFWPOF-UHFFFAOYSA-N |
| MDL Number | MFCD18409912 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | O=C(O)C1=CC=C(N)C=C1CC |
| Synonyms | 4-Amino-2-ethylbenzoic acid,
2486-74-0,
ethyl-p-aminobenzoic acid,
SCHEMBL182142,
AK300975,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.192g/mol |
| Monoisotopic Mass | 165.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number