(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-METHANOL CAS18881-17-9

Details:

Density 1.1± 0.1g /cm3
Boiling point 307.9±27.0 °C at 760 mmHg
Melting point 114-116ºC(lit.)
Molecular formula C10H13NO
Molecular weight 163.216
Flash point 147.0±14.4 °C
Accurate mass 163.099716
PSA 32.26000
LogP 0.84
Appearance properties white to light yellow crystalline powder
Vapor pressure 0.0±0.7 mmHg at 25°C
Refractive index 1.549
Storage condition
Keep in a cool and dry environment

stability
It will not decompose when used and stored according to regulations.

Molecular structure
1. Molar refractive index: 48.00

2, molar volume (m3/mol) : 150.8

3. Isotropic volume (90.2K) : 387.3

4. Surface tension (3.0 dyne/cm) : 43.4

5. Polarizability (0.5 10-24cm 3) : 19.03

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :0.7

2. Number of hydrogen bond donors :2

3. Number of hydrogen bond receptors :2

4. Number of rotatable bonds :1

5. Number of tautomers: None

6. Topological molecular polar surface area 32.3

7. Number of heavy atoms :12

8. Surface charge :0

9. Complexity :149

10. Number of isotope atoms :0

11. Determine the number of atomic constitutive centers :1

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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