| CAS Number | 208117-11-7 |
| Catalog Number | AG01E8QL |
| Chemical Name | 2-Methylpropyl (2S)-2-Aminopropanoate Hydrochloride |
| IUPAC Name | 2-methylpropyl (2S)-2-aminopropanoate;hydrochloride |
| InChI | InChI=1S/C7H15NO2.ClH/c1-5(2)4-10-7(9)6(3)8;/h5-6H,4,8H2,1-3H3;1H/t6-;/m0./s1 |
| InChI Key | JQXKMZBUNUSFPQ-RGMNGODLSA-N |
| MDL Number | MFCD30724063 |
| Molecular Formula | C7H16ClNO2 |
| Molecular Weight | 181.6604 |
| SMILES | Cl.N[C@H](C(=O)OCC(C)C)C |
| Synonyms | (s)-isobutyl 2-aminopropanoate hcl,
208117-11-7,
SCHEMBL1314862,
JQXKMZBUNUSFPQ-RGMNGODLSA-N,
MFCD30724063,
L-alanine isobutyl ester hydrochloride,
L-alanine iso-butyl ester hydrochlorde,
L-alanine iso-butyl ester hydrochloride,
AS-48662,
Isobutyl (2S)-2-aminopropanoate hydrochloride,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.66g/mol |
| Monoisotopic Mass | 181.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number