N-{[(1,1-Dioxido-1-Benzothiophen-2-Yl)Methoxy]Carbonyl}-L-Alanine
[CAS# 197245-15-1]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Alanine derivatives
• Name: N-{[(1,1-Dioxido-1-Benzothiophen-2-Yl)Methoxy]Carbonyl}-L-Alanine
• Synonyms: (2S)-2-{[(1,1-dioxobenzo[d]thiol-2-yl)methoxy]carbonylamino}propanoic acid; Bsmoc-Ala-OH; N-(Benzo[b]thiophenesulfone-2-methoxycarbonyl)-L-alanine
• Molecular Formula: C₁₃H₁₃NO₆S
• Molecular Weight: 311.31
• CAS Registry Number: 197245-15-1
• SMILES: C[C@@H](C(=O)O)NC(=O)OCC1=CC2=CC=CC=C2S1(=O)=O
• InChI: 1S/C13H13NO6S/c1-8(12(15)16)14-13(17)20-7-10-6-9-4-2-3-5-11(9)21(10,18)19/h2-6,8H,7H2,1H3,(H,14,17)(H,15,16)/t8-/m0/s1
• InChIKey: IUXPMHYMBNZBSO-QMMMGPOBSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 105-107°C (Expl.)
• Boiling point: 608.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 321.5±31.5°C (Cal.)
• Refractive index: 1.607 (Cal.)