| CAS Number | 1396962-69-8 |
| Catalog Number | AG019UNR |
| Chemical Name | 2-{[(2-Chlorophenyl)methyl]amino}propanoic acid hydrochloride |
| IUPAC Name | 2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H12ClNO2.ClH/c1-7(10(13)14)12-6-8-4-2-3-5-9(8)11;/h2-5,7,12H,6H2,1H3,(H,13,14);1H |
| InChI Key | WCFYWXLAYRHLIE-UHFFFAOYSA-N |
| MDL Number | MFCD11857883 |
| Molecular Formula | C10H13Cl2NO2 |
| Molecular Weight | 250.1217 |
| SMILES | Cl.CC(C(O)=O)NCC1=C(Cl)C=CC=C1 |
| Synonyms | 2-{[(2-chlorophenyl)methyl]amino}propanoic acid hydrochloride,
1396962-69-8,
AC1Q399U,
CTK7I5010,
AKOS008090875,
MCULE-2040398850,
NE27340,
EN300-42239,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.119g/mol |
| Monoisotopic Mass | 249.032g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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