3,4,5,6,7,8,9,10-Octahydro-7,14,16-Trihydroxy-3-Methyl-1H-2-Benzoxacyclotetradecin-1-One
[CAS# 5916-52-9]

Identification

• Name: 3,4,5,6,7,8,9,10-Octahydro-7,14,16-Trihydroxy-3-Methyl-1H-2-Benzoxacyclotetradecin-1-One
• Synonyms: 4-Methyl-6-Oxo-2-(1-Piperidyl)-3H-Pyrimidine-5-Carbaldehyde; 4-Methyl-6-Oxo-2-(1-Piperidyl)-3H-Pyrimidine-5-Carboxaldehyde; 4-Keto-6-Methyl-2-Piperidino-1H-Pyrimidine-5-Carbaldehyde
• Molecular Formula: C₁₁H₁₅N₃O₂
• Molecular Weight: 221.26
• CAS Registry Number: 5916-52-9
• SMILES: CC2=C(C(=O)N=C(N1CCCCC1)N2)C=O
• InChI: 1S/C11H15N3O2/c1-8-9(7-15)10(16)13-11(12-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,13,16)
• InChIKey: DUSWZCFKWDXOKA-UHFFFAOYSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 359.827°C at 760 mmHg (Cal.)
• Flash point: 171.418°C (Cal.)