| CAS Number | 79093-91-7 |
| Catalog Number | AG01DXEL |
| Chemical Name | 4-(2-Aminoethyl)benzenepropanoic acid hydrochloride |
| IUPAC Name | 3-[4-(2-aminoethyl)phenyl]propanoic acid;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c12-8-7-10-3-1-9(2-4-10)5-6-11(13)14;/h1-4H,5-8,12H2,(H,13,14);1H |
| InChI Key | LSQKVHPEBARDDI-UHFFFAOYSA-N |
| MDL Number | MFCD31704887 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | O=C(O)CCC1=CC=C(CCN)C=C1.[H]Cl |
| Synonyms | 3-[4-(2-Aminoethyl)phenyl]propanoic acid hydrochloride,
79093-91-7,
3-(4-(2-Aminoethyl)phenyl)propanoic acid hydrochloride,
SCHEMBL11105604,
CS-0043336,
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| Complexity | 174 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.704g/mol |
| Monoisotopic Mass | 229.087g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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