4-{[(5-Amino-6-Cyano-2-Pyrazinyl)Methyl](Methyl)Amino}Benzoic Acid
[CAS# 43111-44-0]

Identification

• Name: 4-{[(5-Amino-6-Cyano-2-Pyrazinyl)Methyl](Methyl)Amino}Benzoic Acid
• Synonyms: 4-(N-(2-AMINO-3-CYANO-5-PYRAZINYLMETHYL)-N-METHYLAMINO)BENZOIC ACID
• Molecular Formula: C₁₄H₁₃N₅O₂
• Molecular Weight: 283.29
• CAS Registry Number: 43111-44-0
• SMILES: N#Cc1nc(cnc1N)CN(C)c2ccc(cc2)C(O)=O
• InChI: 1S/C14H13N5O2/c1-19(11-4-2-9(3-5-11)14(20)21)8-10-7-17-13(16)12(6-15)18-10/h2-5,7H,8H2,1H3,(H2,16,17)(H,20,21)
• InChIKey: DVQBOYRIMJTZEN-UHFFFAOYSA-N

Properties

• Density: 1.426g/cm³ (Cal.)
• Boiling point: 590.268°C at 760 mmHg (Cal.)
• Flash point: 310.783°C (Cal.)