Molecule structure of 1-(2-Fluorenyl)-3-methylurea (CAS NO.60550-91-6):
IUPAC Name: 1-(9H-Fluoren-2-yl)-3-methylurea
Molecular Weight: 238.28446 g/mol
Molecular Formula: C15H14N2O
Density: 1.252 g/cm3
Boiling Point: 400.6 °C at 760 mmHg
Flash Point: 158.6 °C
Index of Refraction: 1.677
Molar Refractivity: 71.66 cm3
Molar Volume: 190.2 cm3
Polarizability: 28.4×10-24 cm3
Surface Tension: 55.1 dyne/cm
Enthalpy of Vaporization: 65.15 kJ/mol
Vapour Pressure: 1.26E-06 mmHg at 25 °C
XLogP3: 3.4
H-Bond Donor: 2
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 238.110613
MonoIsotopic Mass: 238.110613
Topological Polar Surface Area: 41.1
Heavy Atom Count: 18
Complexity: 318
Canonical SMILES: CNC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2
InChI: InChI=1S/C15H14N2O/c1-16-15(18)17-12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)14/h2-7,9H,8H2,1H3,(H2,16,17,18)
InChIKey: GUCQKDKCZCHTMO-UHFFFAOYSA-N
Classification Code of 1-(2-Fluorenyl)-3-methylurea (CAS NO.60550-91-6): Mutation data
1. | mmo-sat 5 µg/plate | BBRCA9 Biochemical and Biophysical Research Communications. 71 (1976),1201. |
Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
1-(2-Fluorenyl)-3-methylurea (CAS NO.60550-91-6) is also named as BRN 5547248 ; Urea, 1-(2-fluorenyl)-3-methyl- .
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