| CAS Number | 1221724-08-8 |
| Catalog Number | AG01A7LM |
| Chemical Name | 4-[Ethyl(propyl)amino]benzoic acid hydrochloride |
| IUPAC Name | 4-[ethyl(propyl)amino]benzoic acid;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c1-3-9-13(4-2)11-7-5-10(6-8-11)12(14)15;/h5-8H,3-4,9H2,1-2H3,(H,14,15);1H |
| InChI Key | KVYQVRAFLVXHOB-UHFFFAOYSA-N |
| MDL Number | MFCD14705726 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | Cl.CCCN(C1=CC=C(C(O)=O)C=C1)CC |
| Synonyms | 4-[ethyl(propyl)amino]benzoic acid hydrochloride,
1221724-08-8,
AC1Q39Q0,
CTK6E4089,
AKOS016906775,
MCULE-4539583363,
NE33418,
EN300-59083,
Z1259041023,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.731g/mol |
| Monoisotopic Mass | 243.103g/mol |
| Rotatable Bond Count | 5 |
| 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