| CAS Number | 2137675-05-7 |
| Catalog Number | AG01E7ZN |
| Chemical Name | 3-{4-[2-(Dimethylamino)ethoxy]phenyl}propanoic acid hydrochloride |
| IUPAC Name | 3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoic acid;hydrochloride |
| InChI | InChI=1S/C13H19NO3.ClH/c1-14(2)9-10-17-12-6-3-11(4-7-12)5-8-13(15)16;/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,16);1H |
| InChI Key | UTFIIXZVJQNGBM-UHFFFAOYSA-N |
| MDL Number | MFCD31421121 |
| Molecular Formula | C13H20ClNO3 |
| Molecular Weight | 273.7558 |
| SMILES | Cl.CN(CCOC1=CC=C(CCC(O)=O)C=C1)C |
| Synonyms | A1-13450,
3-{4-[2-(Dimethylamino)ethoxy]phenyl}propanoic acid hydrochloride,
2137675-05-7,
|
| Complexity | 223 |
| 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 |
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