2,3,3-Trimethylindolenine CAS1640-39-7

Details:

Density 0.992
Boiling point 228-229 ºC (744 mmHg)
Melting point 6-8°C
Molecular formula C11H13N
Molecular weight 159.228
Flash point 93.3±0.0 °C
Accurate mass 159.104797
PSA 12.36000
LogP is 1.77
Appearance Properties Transparent yellow to red - brown liquid
Vapor pressure 0.1±0.4 mmHg at 25°C
Refractive index 1.553
Storage condition
Keep the container sealed and store in a cool, dry place

stability
Stable under normal temperature and pressure, avoid contact with oxides

Molecular structure
1. Molar refractive index: 51.17

2, molar volume (cm3/mol) : 159.9

3. Isotonic volume (90.2K) : 381.5

4. Surface tension (dyne/cm) : 32.3

5. Dielectric constant (F/m) : unavailable

6. Polarization (10-24cm3) : 20.2

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :2.3

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :1

4. Number of rotatable bonds :0

5. Number of tautomers :2

6. Topological molecular polar surface area 12.4

7. Number of heavy atoms :12

8. Surface charge :0

9. Complexity :215

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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