| CAS Number | 1803586-54-0 |
| Catalog Number | AG01BDKY |
| Chemical Name | 2-amino-3-ethylbenzoic acid hydrochloride |
| IUPAC Name | 2-amino-3-ethylbenzoic acid;hydrochloride |
| InChI | InChI=1S/C9H11NO2.ClH/c1-2-6-4-3-5-7(8(6)10)9(11)12;/h3-5H,2,10H2,1H3,(H,11,12);1H |
| InChI Key | IORRORBAMFQFNZ-UHFFFAOYSA-N |
| MDL Number | MFCD28118260 |
| Molecular Formula | C9H12ClNO2 |
| Molecular Weight | 201.6501 |
| SMILES | Cl.CCC1=C(N)C(C(O)=O)=CC=C1 |
| Synonyms | 2-amino-3-ethylbenzoic acid hydrochloride,
1803586-54-0,
AKOS030757633,
Z2327039978,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.65g/mol |
| Monoisotopic Mass | 201.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number