(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)(3-pyridinyl)acetic acid
[CAS# 885275-68-3]

Identification

• Name: (4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)(3-pyridinyl)acetic acid
• Synonyms: (4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)(3-pyridinyl)acetic acid; (4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)(3-pyridinyl)essigsäure; 1-BOC-4-(CARBOXY-PYRIDIN-3-YL-METHYL)-[1,4]DIAZEPANE
• Molecular Formula: C₁₇H₂₅N₃O₄
• Molecular Weight: 335.40
• CAS Registry Number: 885275-68-3
• SMILES: CC(C)(C)OC(=O)N1CCCN(CC1)C(c2cccnc2)C(=O)O
• InChI: 1S/C17H25N3O4/c1-17(2,3)24-16(23)20-9-5-8-19(10-11-20)14(15(21)22)13-6-4-7-18-12-13/h4,6-7,12,14H,5,8-11H2,1-3H3,(H,21,22)
• InChIKey: YFQLPDPRWARYJU-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 474.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 240.9±28.7°C (Cal.)
• Refractive index: 1.552 (Cal.)