2-Methyl-5-(2-Methyl-2-Propanyl)-1-[3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propyl]-1H-Pyrrole-3-Carboxylic Acid
[CAS# 306936-18-5]

Identification

• Name: 2-Methyl-5-(2-Methyl-2-Propanyl)-1-[3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propyl]-1H-Pyrrole-3-Carboxylic Acid
• Synonyms: 1-(3-Aminoprop-1-yl)-5-(tert-butyl)-2-methyl-1H-pyrrole-3-carboxylic acid, 1-BOC protected; 1-(3-Aminopropyl)-5-tert-butyl-2-methylpyrrole-3-carboxylic acid, N3-BOC protected; 1-(3-Aminopropyl)-5-tert-butyl-2-methylpyrrole-3-carboxylic acid,N3-BOC protected
• Molecular Formula: C₁₈H₃₀N₂O₄
• Molecular Weight: 338.44
• CAS Registry Number: 306936-18-5
• SMILES: O=C(OC(C)(C)C)NCCCn1c(c(cc1C(C)(C)C)C(=O)O)C
• InChI: 1S/C18H30N2O4/c1-12-13(15(21)22)11-14(17(2,3)4)20(12)10-8-9-19-16(23)24-18(5,6)7/h11H,8-10H2,1-7H3,(H,19,23)(H,21,22)
• InChIKey: DIOWQCJIBSMJSL-UHFFFAOYSA-N

Properties

• Density: 1.084g/cm³ (Cal.)
• Melting point: 154-156°C (Expl.)
• Boiling point: 489.967°C at 760 mmHg (Cal.)
• Flash point: 250.123°C (Cal.)
• Refractive index: 1.512 (Cal.)

Safety Data

• Safety Description: Irritant