N-Acetyl-N'-Nitrosotryptophan Methyl Ester
[CAS# 53659-33-9]

Identification

• Name: N-Acetyl-N'-Nitrosotryptophan Methyl Ester
• Synonyms: Methyl (2S)-2-(Acetyl-Nitroso-Amino)-3-(1H-Indol-3-Yl)Propanoate; (2S)-2-(Acetyl-Nitrosoamino)-3-(1H-Indol-3-Yl)Propanoic Acid Methyl Ester; (2S)-2-(Acetyl-Nitroso-Amino)-3-(1H-Indol-3-Yl)Propionic Acid Methyl Ester
• Molecular Formula: C₁₄H₁₅N₃O₄
• Molecular Weight: 289.29
• CAS Registry Number: 53659-33-9
• SMILES: [C@H](C(=O)OC)(N(N=O)C(=O)C)CC1=C[NH]C2=CC=CC=C12
• InChI: 1S/C14H15N3O4/c1-9(18)17(16-20)13(14(19)21-2)7-10-8-15-12-6-4-3-5-11(10)12/h3-6,8,13,15H,7H2,1-2H3/t13-/m0/s1
• InChIKey: AGKSTJOYUCWFJZ-ZDUSSCGKSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 479.15°C at 760 mmHg (Cal.)
• Flash point: 243.581°C (Cal.)