n,n-dimethylcephalin

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:487-93-4

mdl number:none

einecs number:207-667-9

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. character: undetermined

2. density (g/ m³,25/4℃): undetermined

3. relative vapor density (g/cm³,air=1): undetermined

4. melting point (ºc): undetermined

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

12. saturated vapor pressure (kpa,60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/water) logarithm of the partition coefficient: not ok

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: undetermined

toxicological data

acute toxicity: human intravenous tdlo: 57ug/kg, peripheral nerves and sensation –sensory changes involve peripheral nerves, lungs, chest or respiratory–other changes gastrointestinal–other changes;

mouse transperitoneallyld50: 290mg/kg, no details except lethal dose;

mouse transvenousld50: 25mg/kg, no details except lethal dose;

frog parenteral ldlo: 2500mg/kg, except for lethal doses no detailed explanation.

ecological data

this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1、 molar refractive index:62.94

2、 molar volume（m³/mol)：173.3

3、 isotonic specific volume (90.2k): 467.5

4、 surface tension（dyne/cm)：52.8

5、 polarizability(10^-24cm³）：24.95

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: 9

6. topological molecule polar surface area 39.3

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 208

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

use and store according to specifications, will not decompose, and avoid contact with oxides

storage method

seal and store in a ventilated, dry environment

synthesis method

none

purpose

none

resource:allhdi.com