2-(4-Aminobutanoylamino)-3-(3H-Imidazol-4-Yl)Propanoic Acid sulfate
[CAS# 31952-91-7]

Identification

• Name: 2-(4-Aminobutanoylamino)-3-(3H-Imidazol-4-Yl)Propanoic Acid sulfate
• Synonyms: 2-[(4-Amino-1-Oxobutyl)Amino]-3-(3H-Imidazol-4-Yl)Propanoic Acid; Sulfuric Acid; 2-(4-Aminobutanoylamino)-3-(3H-Imidazol-4-Yl)Propionic Acid; Sulfuric Acid; Nsc111185
• Molecular Formula: C₁₀H₁₈N₄O₇S
• Molecular Weight: 338.33
• CAS Registry Number: 31952-91-7
• SMILES: C1=C(CC(NC(CCCN)=O)C(O)=O)[NH]C=N1.O=[S](O)(O)=O
• InChI: 1S/C10H16N4O3.H2O4S/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7;1-5(2,3)4/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17);(H2,1,2,3,4)
• InChIKey: YQJJBZFOWMESSQ-UHFFFAOYSA-N

Properties

• Boiling point: 646.9°C at 760 mmHg (Cal.)
• Flash point: 345.1°C (Cal.)