3-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzoic acid
[CAS# 886363-46-8]

Identification

• Name: 3-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzoic acid
• Synonyms: 3-(Boc-amidino)-benzoic acid; 3-(BOC-AMIDINO)-BENZOICACID; 3-(tert-Butoxycarbonylamino-imino-methyl)-benzoic acid
• Molecular Formula: C₁₃H₁₆N₂O₄
• Molecular Weight: 264.28
• CAS Registry Number: 886363-46-8
• SMILES: O=C(O)c1cccc(c1)C(=N)NC(=O)OC(C)(C)C
• InChI: 1S/C13H16N2O4/c1-13(2,3)19-12(18)15-10(14)8-5-4-6-9(7-8)11(16)17/h4-7H,1-3H3,(H,16,17)(H2,14,15,18)
• InChIKey: DEXHOIOEASCVLS-UHFFFAOYSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Refractive index: 1.549 (Cal.)