Dibenz[b,f]oxepin-10-methanamine, N-methyl-N-2-propynyl-,(2Z)-2-butenedioate (1:1)


Chemical Name: Dibenz[b,f]oxepin-10-methanamine, N-methyl-N-2-propynyl-,(2Z)-2-butenedioate (1:1)
CAS Number: 200189-97-5
Product Number: AG00C4I0(AGN-PC-0QR75X)
Synonyms:
MDL No: MFCD09970490
Molecular Formula: C23H21NO5
Molecular Weight: 391.4165

Identification/Properties


Computed Properties
Molecular Weight:
391.423g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
391.142g/mol
Monoisotopic Mass:
391.142g/mol
Topological Polar Surface Area:
87.1A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
551
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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