(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)(3-thienyl)acetic acid
[CAS# 885275-85-4]

Identification

• Name: (4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)(3-thienyl)acetic acid
• Synonyms: (4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)(3-thienyl)acetic acid; (4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)(3-thienyl)essigsäure; 1-BOC-4-(CARBOXY-THIOPHEN-3-YL-METHYL)-[1,4]DIAZEPANE
• Molecular Formula: C₁₆H₂₄N₂O₄S
• Molecular Weight: 340.44
• CAS Registry Number: 885275-85-4
• SMILES: CC(C)(C)OC(=O)N1CCCN(CC1)C(c2ccsc2)C(=O)O
• InChI: 1S/C16H24N2O4S/c1-16(2,3)22-15(21)18-7-4-6-17(8-9-18)13(14(19)20)12-5-10-23-11-12/h5,10-11,13H,4,6-9H2,1-3H3,(H,19,20)
• InChIKey: GKQFMQTWRSMUME-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 461.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 233.1±28.7°C (Cal.)
• Refractive index: 1.563 (Cal.)