| CAS Number | 59931-28-1 |
| Catalog Number | AG019VB1(AGN-PC-06D86Z) |
| Chemical Name | 4-[2-(Diethylamino)ethoxy]benzoic acid hydrochloride |
| IUPAC Name | 4-[2-(diethylamino)ethoxy]benzoic acid;hydrochloride |
| InChI | InChI=1S/C13H19NO3.ClH/c1-3-14(4-2)9-10-17-12-7-5-11(6-8-12)13(15)16;/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);1H |
| InChI Key | SOEBUSCNBNZIRA-UHFFFAOYSA-N |
| MDL Number | MFCD12197102 |
| Molecular Formula | C13H20ClNO3 |
| Molecular Weight | 273.7558 |
| SMILES | Cl.CCN(CCOC1=CC=C(C(O)=O)C=C1)CC |
| Synonyms | 4-[2-(diethylamino)ethoxy]benzoic acid hydrochloride,
59931-28-1,
AC1Q39SG,
4-(2-diethylaminoethoxy)benzoic acid hydrochloride,
CHEMBL502304,
SCHEMBL4465808,
CTK6E8476,
SOEBUSCNBNZIRA-UHFFFAOYSA-N,
AKOS008093501,
MCULE-8628848855,
NE17429,
4-(2-Diethylaminoethoxy)Benzoic Acid HCl,
4-(2-(Diethylamino)Ethoxy)Benzoic Acid HCl,
EN300-44282,
4-(2-diethylaminoethoxy)benzoic acid, hydrochloride,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.757g/mol |
| Monoisotopic Mass | 273.113g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number