| CAS Number | 1221724-72-6 |
| Catalog Number | AG019Y46 |
| Chemical Name | 4-[ethyl(methyl)amino]benzoic acid hydrochloride |
| IUPAC Name | 4-[ethyl(methyl)amino]benzoic acid;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-3-11(2)9-6-4-8(5-7-9)10(12)13;/h4-7H,3H2,1-2H3,(H,12,13);1H |
| InChI Key | TYBNGYAZAHHXSM-UHFFFAOYSA-N |
| MDL Number | MFCD14705647 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | Cl.CCN(C1=CC=C(C(O)=O)C=C1)C |
| Synonyms | 4-[ethyl(methyl)amino]benzoic acid hydrochloride,
1221724-72-6,
AC1Q39RL,
CTK6E7287,
AKOS008126925,
MCULE-8927625821,
NE48537,
EN300-56958,
Z1259041005,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number