CAS | 1149-26-4 |
Structure | |
Synonyms | (S)-2-(((Benzyloxy)carbonyl)aMino)-3-Methylbutanoic acid |
IUPAC Name | (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid |
Molecular Weight | 251.28 |
Molecular Formula | C13H17NO4 |
Canonical SMILES | CC(C)[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1 |
InChI | InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m0/s1 |
InChI Key | CANZBRDGRHNSGZ-NSHDSACASA-N |
Boiling Point | 394.43 °C |
Melting Point | 62-64 °C (lit.) |
Purity | 98% |
Density | 0.926 g/ml |
Refractive Index | -4.3 ° (C=2, AcOH) |
pKa | 4.00±0.10 |
Appearance | White to off-white solid |
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