| CAS Number | 66854-99-7 |
| Catalog Number | AG01AMQV |
| Chemical Name | Propan-2-yl (2S)-2-amino-3-methylbutanoate hydrochloride |
| IUPAC Name | propan-2-yl (2S)-2-amino-3-methylbutanoate;hydrochloride |
| InChI | InChI=1S/C8H17NO2.ClH/c1-5(2)7(9)8(10)11-6(3)4;/h5-7H,9H2,1-4H3;1H/t7-;/m0./s1 |
| InChI Key | XHQDDUMWIYOHDY-FJXQXJEOSA-N |
| MDL Number | MFCD29041064 |
| Molecular Formula | C8H18ClNO2 |
| Molecular Weight | 195.6870 |
| SMILES | Cl.N[C@H](C(=O)OC(C)C)C(C)C |
| Synonyms | 66854-99-7,
propan-2-yl (2S)-2-amino-3-methylbutanoate hydrochloride,
SCHEMBL1456828,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.102607g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.69g/mol |
| Monoisotopic Mass | 195.102607g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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