2-Methyl-1,2,3,4,4a,9-hexahydrodibenzo[c,f]pyrimido[1,6-a]azepine (2E)-2-butenedioate (1:1)
[CAS# 76134-84-4]

Identification

• Name: 2-Methyl-1,2,3,4,4a,9-hexahydrodibenzo[c,f]pyrimido[1,6-a]azepine (2E)-2-butenedioate (1:1)
• Molecular Formula: C₂₂H₂₄N₂O₄
• Molecular Weight: 380.44
• CAS Registry Number: 76134-84-4
• EINECS: 278-380-4
• SMILES: OC(=O)/C=C/C(O)=O.CN1CCC2N(C1)c4ccccc4Cc3ccccc23
• InChI: 1S/C18H20N2.C4H4O4/c1-19-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)20(18)13-19;5-3(6)1-2-4(7)8/h2-9,18H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: GUJPQBJNGCYMEC-WLHGVMLRSA-N

Properties

• Boiling point: 611.2°C at 760 mmHg (Cal.)
• Flash point: 323.4°C (Cal.)