| CAS Number | 54675-17-1 |
| Catalog Number | AG00DAVT(AGN-PC-0WB55B) |
| Chemical Name | 2-(Ethylamino)-5-methylbenzoic acid |
| IUPAC Name | 2-(ethylamino)-5-methylbenzoic acid |
| InChI | InChI=1S/C10H13NO2/c1-3-11-9-5-4-7(2)6-8(9)10(12)13/h4-6,11H,3H2,1-2H3,(H,12,13) |
| InChI Key | BBEOAXDWSOBKMN-UHFFFAOYSA-N |
| MDL Number | MFCD07439743 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | C1(=CC(C)=CC=C1NCC)C(O)=O |
| Synonyms | 2-(Ethylamino)-5-methylbenzoic acid,
54675-17-1,
CHEMBRDG-BB 9071917,
SCHEMBL13921284,
CTK5A2216,
DTXSID90500882,
BBEOAXDWSOBKMN-UHFFFAOYSA-N,
N-Ethyl-5-methyl anthranilic acid,
ZINC8703071,
MFCD07439743,
SBB045981,
AKOS000275332,
MCULE-2383425921,
AJ-58624,
ST50770065,
Y-3108,
Z111833880,
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| Complexity | 182 |
| 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 | 3 |
| 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
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Certificate of Analysis
Lot Number