5-(1-Azepanylsulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid
[CAS# 685088-97-5]

Identification

• Name: 5-(1-Azepanylsulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid
• Synonyms: 5-(1-azepanylsulfonyl)-1-methyl-1H-pyrrole-2-carboxylicacid; Maybridge3_001768
• Molecular Formula: C₁₂H₁₈N₂O₄S
• Molecular Weight: 286.35
• CAS Registry Number: 685088-97-5
• SMILES: CN1C(=CC=C1S(=O)(=O)N2CCCCCC2)C(=O)O
• InChI: 1S/C12H18N2O4S/c1-13-10(12(15)16)6-7-11(13)19(17,18)14-8-4-2-3-5-9-14/h6-7H,2-5,8-9H2,1H3,(H,15,16)
• InChIKey: XOGNCJMRMANCGF-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 504.2±60.0°C at 760 mmHg (Cal.)
• Flash point: 258.7±32.9°C (Cal.)
• Refractive index: 1.621 (Cal.)