N²-{[(1,1-Dioxido-1-Benzothiophen-2-Yl)Methoxy]Carbonyl}-L-Asparagine
[CAS# 197245-31-1]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Asparagine derivatives
• Name: N²-{[(1,1-Dioxido-1-Benzothiophen-2-Yl)Methoxy]Carbonyl}-L-Asparagine
• Synonyms: (2S)-2-{[(1,1-dioxobenzo[d]thiol-2-yl)methoxy]carbonylamino}-3-carbamoylpropanoic acid; N-(Benzo[b]thiophenesulfone-2-methoxycarbonyl)-L-asparagine; N-Bsmoc-Asn-OH
• Molecular Formula: C₁₄H₁₄N₂O₇S
• Molecular Weight: 354.34
• CAS Registry Number: 197245-31-1
• SMILES: C1=CC=C2C(=C1)C=C(S2(=O)=O)COC(=O)N[C@@H](CC(=O)N)C(=O)O
• InChI: 1S/C14H14N2O7S/c15-12(17)6-10(13(18)19)16-14(20)23-7-9-5-8-3-1-2-4-11(8)24(9,21)22/h1-5,10H,6-7H2,(H2,15,17)(H,16,20)(H,18,19)/t10-/m0/s1
• InChIKey: SAYGRVJKBKWLHI-JTQLQIEISA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Melting point: 134-138°C (Expl.)
• Boiling point: 757.7±60.0°C at 760 mmHg (Cal.)
• Flash point: 412.0±32.9°C (Cal.)
• Refractive index: 1.63 (Cal.)

Safety Data

• Safety Code: S22;S24/25