4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol

• Catalog Number: ACM76014818
• Product Name: 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
• CAS: 76014-81-8
• Category: Heterocyclic Organic Compound
• Synonyms: 4-(Methylnitrosamino)-1-(3-pyridyl)-butan-1-Ol
• IUPAC Name: N-(4-Hydroxy-4-pyridin-3-ylbutyl)-N-methylnitrous amide
• Molecular Weight: 209.24
• Molecular Formula: C10H15N3O2
• Canonical SMILES: CN(CCCC(C1=CN=CC=C1)O)N=O
• InChI: InChI=1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3
• InChI Key: OGRXKBUCZFFSTL-UHFFFAOYSA-N
• Boiling Point: 348.61 °C
• Flash Point: 9 °C
• Density: 1.1599 g/cm³
• Storage: 2-8 °C
• Complexity: 190
• Exact Mass: 209.116426730
• Monoisotopic Mass: 209.116426730
• pKa: 13.54±0.20(Predicted)
• Refractive Index: 1.4830
• Topological Polar Surface Area: 65.8 Ų