1,8-Diazabicyclo[5.4.0]undec-7-ene,compound with p-toluenesulfonic acid(1:1)

• CAS: 51376-18-2
• Catalog Number: ACM51376182
• Category: Polymer/Macromolecule
• Molecular Weight: 324.44
• Molecular Formula: C₁₆H₂₄N₂O₃S
• Synonyms: 1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH P-TOLUENESULFONIC ACID (1:1);Pyrimido[1,2-a]azepine,2,3,4,6,7,8,9,10-octahydro-,mono(4-methylbenzenesulfonate);2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepinium (p-tolylsulphonate);1,8-DIAZABICYCLO(5.4.0)
• IUPAC Name: 4-methylbenzenesulfonate; 2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium
• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC2=NCCCN2CC1
• InChI Key: VAIAHWBLSPENDF-UHFFFAOYSA-N
• Boiling Point: 540.5ºC at 760mmHg
• Melting Point: 70.9-90.7ºC(lit.)
• Flash Point: 280.7ºC
• EC Number: 257-164-3
• Exact Mass: 324.15100
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Safety Description: 26-36