2-Methyl-5-(2-Methyl-2-Propanyl)-1-[3-(4-Morpholinyl)Propyl]-1H-Pyrrole-3-Carboxylic Acid
[CAS# 306936-17-4]

Identification

• Name: 2-Methyl-5-(2-Methyl-2-Propanyl)-1-[3-(4-Morpholinyl)Propyl]-1H-Pyrrole-3-Carboxylic Acid
• Synonyms: 1H-PYRROLE-3-CARBOXYLICACID, 5-(1,1-DIMETHYLETHYL)-2-METHYL-1-[3-(4-MORPHOLINYL)PROPYL]-; 5-tert-Butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxylic acid; ZINC00113744
• Molecular Formula: C₁₇H₂₈N₂O₃
• Molecular Weight: 308.42
• CAS Registry Number: 306936-17-4
• SMILES: O=C(O)c1c(n(c(c1)C(C)(C)C)CCCN2CCOCC2)C
• InChI: 1S/C17H28N2O3/c1-13-14(16(20)21)12-15(17(2,3)4)19(13)7-5-6-18-8-10-22-11-9-18/h12H,5-11H2,1-4H3,(H,20,21)
• InChIKey: CZNIFSBECUXHHB-UHFFFAOYSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 460.595°C at 760 mmHg (Cal.)
• Flash point: 232.36°C (Cal.)
• Refractive index: 1.545 (Cal.)