Methyl 2-Methyl-2-Propanyl (2S)-Amino(4-Iodobenzyl)Malonate
[CAS# 113850-76-3]

Identification

• Name: Methyl 2-Methyl-2-Propanyl (2S)-Amino(4-Iodobenzyl)Malonate
• Synonyms: (S)-Methyl 2-Boc-amino-3-(4-iodophenyl)propionate
• Molecular Formula: C₁₅H₂₀INO₄
• Molecular Weight: 405.23
• CAS Registry Number: 113850-76-3
• SMILES: CC(C)(C)OC(=O)[C@](CC1=CC=C(C=C1)I)(C(=O)OC)N
• InChI: 1S/C15H20INO4/c1-14(2,3)21-13(19)15(17,12(18)20-4)9-10-5-7-11(16)8-6-10/h5-8H,9,17H2,1-4H3/t15-/m0/s1
• InChIKey: UOEFCJJCFHYPBK-HNNXBMFYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 404.1±40.0°C at 760 mmHg (Cal.)
• Flash point: 198.2±27.3°C (Cal.)
• Refractive index: 1.565 (Cal.)