Molecule structure of Dibenz(a,j)acridine, methosulfate (CAS NO.63918-83-2):
Molecular Weight: 391.43968 g/mol
Molecular Formula: C22H17NO4S
Boiling Point: 534 °C at 760 mmHg
Flash Point: 240.4 °C
Enthalpy of Vaporization: 77.97 kJ/mol
Vapour Pressure: 6.07E-11 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Exact Mass: 391.087829
MonoIsotopic Mass: 391.087829
Topological Polar Surface Area: 76.5
Heavy Atom Count: 28
Complexity: 473
Canonical SMILES: COS(=O)(=O)O.C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)C5=CC=CC=C5C=C4
InChI: InChI=1S/C21H13N.CH4O4S/c1-3-7-16-14(5-1)9-11-20-18(16)13-19-17-8-4-2-6-15(17)10-12-21(19)22-20;1-5-6(2,3)4/h1-13H;1H3,(H,2,3,4)
InChIKey of Dibenz(a,j)acridine, methosulfate (CAS NO.63918-83-2): QAWHGOPYBWUMPL-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of SOx and NOx. See also SULFONATES.
Dibenz(a,j)acridine, methosulfate (CAS NO.63918-83-2) is also named as 3,4:5,6-Dibenzacridine methosulfate .
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