N-Acetyl-L-cysteine CAS616-91-1

Details:

Density 1.3± 0.1g /cm3
Boiling point 407.7±40.0 °C at 760 mmHg
Melting point 106-108 °C(lit.)
Molecular formula C5H9NO3S
Molecular weight 163.195
Flash point 200.4±27.3 °C
Precise mass 163.030319
PSA 105.20000
LogP-0.15
Appearance properties White crystalline powder
Vapor pressure 0.0±2.0 mmHg at 25°C
Refractive index 1.519
Storage conditions 1. Argon sealed at 4ºC and kept dry
stability
1. It has a smell similar to garlic, sour taste and hygroscopicity.

Water solubility: soluble; Soluble in: alcohol
Molecular structure
V. Molecular property data:

1, molar refractive index: 38.25

2, molar volume (cm3/mol) : 126.0

3. Isotropic specific volume (90.2K) : 335.1

4, surface tension (dyne/cm) : 49.9

5. Polarizability (10-24cm3) : 15.16

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None

2. Number of hydrogen bond donors :3

3. Number of hydrogen bond receptors :4

4. Number of rotatable bonds :3

5. Number of tautomers :2

6. Topological molecular polar surface area 67.4

7. Number of heavy atoms :10

8. Surface charge :0

9. Complexity :148

10. Number of isotope atoms :0

11. Determine the number of atomic stereocenter :1

12. Number of uncertain atomic stereocentes :0

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

14. Number of uncertain chemical bond stereocenter :0

15. Number of covalent bond units :1

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