| CAS Number | 1909319-15-8 |
| Catalog Number | AG01C4HW |
| Chemical Name | 3-[(2-aminoethyl)sulfanyl]-2-methylpropanoic acid hydrochloride |
| IUPAC Name | 3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride |
| InChI | InChI=1S/C6H13NO2S.ClH/c1-5(6(8)9)4-10-3-2-7;/h5H,2-4,7H2,1H3,(H,8,9);1H |
| InChI Key | FOAVOHKIKMAXPW-UHFFFAOYSA-N |
| MDL Number | MFCD29763125 |
| Molecular Formula | C6H14ClNO2S |
| Molecular Weight | 199.6989 |
| SMILES | Cl.CC(C(O)=O)CSCCN |
| Synonyms | 3-[(2-aminoethyl)sulfanyl]-2-methylpropanoic acid hydrochloride,
1909319-15-8,
Z2418194252,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.693g/mol |
| Monoisotopic Mass | 199.043g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 88.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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