| CAS Number | 1391447-69-0 |
| Catalog Number | AG01DTGC(AGN-PC-0WNGJG) |
| Chemical Name | (S)-Methyl 3-(1-Amino-2-Hydroxyethyl)Benzoate Hydrochloride |
| IUPAC Name | methyl 3-[(1S)-1-amino-2-hydroxyethyl]benzoate;hydrochloride |
| InChI | InChI=1S/C10H13NO3.ClH/c1-14-10(13)8-4-2-3-7(5-8)9(11)6-12;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/m1./s1 |
| InChI Key | SWIJKZSHJUALNL-SBSPUUFOSA-N |
| MDL Number | MFCD12910849 |
| Molecular Formula | C10H14ClNO3 |
| Molecular Weight | 231.6761 |
| SMILES | OC[C@H](c1cccc(c1)C(=O)OC)N.Cl |
| Synonyms | 1391447-69-0,
(S)-Methyl 3-(1-amino-2-hydroxyethyl)benzoate hydrochloride,
methyl 3-((1S)-1-amino-2-hydroxyethyl)benzoate hydrochloride,
methyl 3-[(1S)-1-amino-2-hydroxyethyl]benzoate hydrochloride,
KS-00000U3G,
MFCD12910849,
AKOS030632959,
GS-7206,
KS-000026E6,
(S)-Methyl 3-(1-amino-2-hydroxyethyl)benzoate HCl,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.676g/mol |
| Monoisotopic Mass | 231.066g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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