3-({2-[Isopropyl(Phenyl)Amino]-2-Oxoethyl}Sulfinyl)-D-Alanine
[CAS# 123732-80-9]

Identification

• Name: 3-({2-[Isopropyl(Phenyl)Amino]-2-Oxoethyl}Sulfinyl)-D-Alanine
• Synonyms: L-Alanine, 3-[[2-[(1-methylethyl)phenylamino]-2-oxoethyl]sulfinyl]-
• Molecular Formula: C₁₄H₂₀N₂O₄S
• Molecular Weight: 312.39
• CAS Registry Number: 123732-80-9
• SMILES: CC(C)N(C(=O)CS(=O)C[C@@H](N)C(O)=O)c1ccccc1
• InChI: 1S/C14H20N2O4S/c1-10(2)16(11-6-4-3-5-7-11)13(17)9-21(20)8-12(15)14(18)19/h3-7,10,12H,8-9,15H2,1-2H3,(H,18,19)/t12-,21?/m1/s1
• InChIKey: VMNKLIOWTBKCLR-FXADVQPWSA-N

Properties

• Density: 1.346g/cm³ (Cal.)
• Boiling point: 554.019°C at 760 mmHg (Cal.)
• Flash point: 288.861°C (Cal.)
• Refractive index: 1.626 (Cal.)