3-DIETHYLAMINOPROPIONIC ACID ETHYL ESTER CAS20120-21-2

Details:

Boiling point 56ºC(12 torr)
Molecular formula C7H15NO2
Molecular weight 145.19900
Flash point 58ºC
Accurate mass 145.11000
PSA 29.54000
LogP 0.50120
Vapor pressure 0.148mmHg at 25°C
Refractive index 1.419
Storage condition
Store in an airtight storage container in a cool, dry place

stability
It will not decompose if used and stored according to specifications

Avoid contact with oxides
Molecular structure
V. Molecular Property Data:

1. Molar refractive index: 39.97

2. Molar volume (m3/mol) : 154.8

3. Isotropic specific volume (90.2K) : 361.0

4. Surface tension (dyne/cm) : 29.5

5. Polarization (10-24cm3) : 15.84

Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) :0.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond receptors: 3

4. Number of rotatable bonds :5

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA) :29.5

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 102

10. Number of isotope atoms: 0

11. Determine the number of atomic constitutive centers: 0

12. Number of uncertain atomic constitutive centers: 0

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

14. Number of uncertain chemical bond structure centers: 0

15. Number of covalent bond units: 1

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