| CAS Number | 1391483-59-2 |
| Catalog Number | AG01DDQ2 |
| Chemical Name | Methyl (S)-2-(1-aminoethyl)benzoate hcl |
| IUPAC Name | methyl 2-[(1S)-1-aminoethyl]benzoate;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-7(11)8-5-3-4-6-9(8)10(12)13-2;/h3-7H,11H2,1-2H3;1H/t7-;/m0./s1 |
| InChI Key | ULMRKIOVDPKQKH-FJXQXJEOSA-N |
| MDL Number | MFCD12910777 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | Cl.COC(=O)c1ccccc1[C@H](C)N |
| Synonyms | 1391483-59-2,
METHYL 2-((1S)-1-AMINOETHYL)BENZOATE HYDROCHLORIDE,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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