| CAS Number | 74450-59-2 |
| Catalog Number | AG00ICIV(AGN-PC-04PZXP) |
| Chemical Name | Benzoic acid, 4-amino-2-methyl-, ethyl ester |
| IUPAC Name | ethyl 4-amino-2-methylbenzoate |
| InChI | InChI=1S/C10H13NO2/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h4-6H,3,11H2,1-2H3 |
| InChI Key | RXVUWRNRNRPYMT-UHFFFAOYSA-N |
| MDL Number | MFCD08458830 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | CCOC(=O)c1ccc(cc1C)N |
| Synonyms | ETHYL 4-AMINO-2-METHYLBENZOATE,
74450-59-2,
4-amino-2-methyl-benzoic acid ethyl ester,
4-Amino-2-methylbenzoic acid ethyl ester,
SCHEMBL754826,
DTXSID70641020,
RXVUWRNRNRPYMT-UHFFFAOYSA-N,
6703AH,
MFCD08458830,
ZINC44749172,
AKOS011099506,
Benzoic acid, 4-amino-2-methyl-, ethyl ester,
BENZOICACID, 4-AMINO-2-METHYL-, ETHYL ESTER,
C10H13NO2,
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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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number