N-((6-(((2-Aminoethyl)amino)methyl)-2-pyridinyl)carbonyl)-L-histidine methyl ester
[CAS# 85363-09-3]

Identification

• Name: N-((6-(((2-Aminoethyl)amino)methyl)-2-pyridinyl)carbonyl)-L-histidine methyl ester
• Synonyms: (2S)-2-[[[6-[(2-Aminoethylamino)Methyl]-2-Pyridyl]-Oxomethyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoic Acid Methyl Ester; (2S)-2-[[6-[(2-Aminoethylamino)Methyl]Pyridine-2-Carbonyl]Amino]-3-(3H-Imidazol-4-Yl)Propionic Acid Methyl Ester; Methyl (2S)-2-[[6-[(2-Aminoethylamino)Methyl]Pyridin-2-Yl]Carbonylamino]-3-(3H-Imidazol-4-Yl)Propanoate
• Molecular Formula: C₁₆H₂₂N₆O₃
• Molecular Weight: 346.39
• CAS Registry Number: 85363-09-3
• SMILES: [C@H](NC(=O)C1=CC=CC(=N1)CNCCN)(CC2=CN=C[NH]2)C(OC)=O
• InChI: 1S/C16H22N6O3/c1-25-16(24)14(7-12-9-19-10-20-12)22-15(23)13-4-2-3-11(21-13)8-18-6-5-17/h2-4,9-10,14,18H,5-8,17H2,1H3,(H,19,20)(H,22,23)/t14-/m0/s1
• InChIKey: FLTZFVMSTMNKPJ-AWEZNQCLSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 664.377°C at 760 mmHg (Cal.)
• Flash point: 355.603°C (Cal.)