Product Name

  • Name

    Elinafide

  • EINECS
  • CAS No. 162706-37-8
  • Article Data1
  • CAS DataBase
  • Density 1.344 g/cm3
  • Solubility
  • Melting Point 160 °C
  • Formula C31H28N4O4
  • Boiling Point 750.7 °C at 760 mmHg
  • Molecular Weight 520.588
  • Flash Point 407.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 162706-37-8 (Elinafide)
  • Hazard Symbols
  • Synonyms Elinafide;LU 79553;N,N'-(Trimethylenebis(iminoethylene))dinaphthalimide;2-[2-[3-[2-(1,3-Dioxobenzo[e]isoindol-2-yl)ethylamino]propylamino]ethyl]benzo[e]isoindole-1,3-dione;
  • PSA 102.20000
  • LogP 3.27010

Elinafide Specification

The CAS register number of Elinafide is 162706-37-8. It also can be called as N,N'-(Trimethylenebis(iminoethylene))dinaphthalimide and the IUPAC name about this chemical is 2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione. The molecular formula about this chemical is C31H28N4O4 and molecular weight is 520.58.

Physical properties about Elinafide are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 8; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 81.24Å2; (7)Index of Refraction: 1.694; (8)Molar Refractivity: 148.66 cm3; (9)Molar Volume: 387.1 cm3; (10)Polarizability: 58.93x10-24cm3; (11)Surface Tension: 64 dyne/cm; (12)Enthalpy of Vaporization: 109.41 kJ/mol; (13)Boiling Point: 750.7 °C at 760 mmHg; (14)Vapour Pressure: 2.04E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3c1c2c(ccc1)cccc2C(=O)N3CCNCCCNCCN6C(=O)c5cccc4cccc(c45)C6=O
(2)InChI: InChI=1/C31H28N4O4/c36-28-22-10-1-6-20-7-2-11-23(26(20)22)29(37)34(28)18-16-32-14-5-15-33-17-19-35-30(38)24-12-3-8-21-9-4-13-25(27(21)24)31(35)39/h1-4,6-13,32-33H,5,14-19H2
(3)InChIKey: QUNOQBDEVTWCTA-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C31H28N4O4/c36-28-22-10-1-6-20-7-2-11-23(26(20)22)29(37)34(28)18-16-32-14-5-15-33-17-19-35-30(38)24-12-3-8-21-9-4-13-25(27(21)24)31(35)39/h1-4,6-13,32-33H,5,14-19H2
(5)Std. InChIKey: QUNOQBDEVTWCTA-UHFFFAOYSA-N

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