3-Azetidinamine, 1-(6,11-dihydrodibenz(b,e)oxepin-11-yl)-N-methyl-, (+)-, trans-2-butenedioate (2:1)

Base Information

• Chemical Name: 3-Azetidinamine, 1-(6,11-dihydrodibenz(b,e)oxepin-11-yl)-N-methyl-, (+)-, trans-2-butenedioate (2:1)
• CAS No.: 69159-31-5
• Molecular Formula: C40H44N4O6
• Molecular Weight: 676.8006

Synonyms:3-Azetidinamine, 1-(6,11-dihydrodibenz(b,e)oxepin-11-yl)-N-methyl-, (+)-, trans-2-butenedioate (2:1);69159-31-5;C18H20N2O.1/2C4H4O4;C18-H20-N2-O.1/2C4-H4-O4

Chemical Property of 3-Azetidinamine, 1-(6,11-dihydrodibenz(b,e)oxepin-11-yl)-N-methyl-, (+)-, trans-2-butenedioate (2:1)

Chemical Property:

• Vapor Pressure: 1.26E-07mmHg at 25°C
• Boiling Point: 430.8°C at 760 mmHg
• Flash Point: 214.3°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 676.32608514
• Heavy Atom Count: 50
• Complexity: 498

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42.CC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42.CC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O

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