| CAS Number | 1221722-30-0 |
| Catalog Number | AG01A7TW |
| Chemical Name | 4-[Methyl(propyl)amino]benzoic acid hydrochloride |
| IUPAC Name | 4-[methyl(propyl)amino]benzoic acid;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-3-8-12(2)10-6-4-9(5-7-10)11(13)14;/h4-7H,3,8H2,1-2H3,(H,13,14);1H |
| InChI Key | MURMETNOZMCRLK-UHFFFAOYSA-N |
| MDL Number | MFCD14705824 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.CCCN(C1=CC=C(C(O)=O)C=C1)C |
| Synonyms | 4-[methyl(propyl)amino]benzoic acid hydrochloride,
1221722-30-0,
AC1Q39PX,
CTK6E4088,
AKOS008127084,
MCULE-1424873968,
NE34488,
EN300-59793,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.704g/mol |
| Monoisotopic Mass | 229.087g/mol |
| Rotatable Bond Count | 4 |
| 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