(2S)-2-(Acetyl-Nitroso-Amino)-3-(1H-Indol-3-Yl)Propanoic Acid
[CAS# 53602-74-7]

Identification

• Name: (2S)-2-(Acetyl-Nitroso-Amino)-3-(1H-Indol-3-Yl)Propanoic Acid
• Synonyms: (2S)-2-(Acetyl-Nitroso-Amino)-3-(1H-Indol-3-Yl)Propanoic Acid; (2S)-2-(Acetyl-Nitroso-Amino)-3-(1H-Indol-3-Yl)Propionic Acid; (2S)-2-(Ethanoyl-Nitroso-Amino)-3-(1H-Indol-3-Yl)Propanoic Acid
• Molecular Formula: C₁₃H₁₃N₃O₄
• Molecular Weight: 275.26
• CAS Registry Number: 53602-74-7
• SMILES: [C@H](C(=O)O)(N(N=O)C(=O)C)CC1=C[NH]C2=CC=CC=C12
• InChI: 1S/C13H13N3O4/c1-8(17)16(15-20)12(13(18)19)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,18,19)/t12-/m0/s1
• InChIKey: QGCFCYSWAISKFH-LBPRGKRZSA-N

Properties

• Density: 1.423g/cm³ (Cal.)
• Boiling point: 516.973°C at 760 mmHg (Cal.)
• Flash point: 266.456°C (Cal.)