n-ethylmaleimide n-ethylmaleimide

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:128-53-0

mdl number:mfcd00005509

einecs number:204-892-4

rtecs number:ux9625000

brn number:112448

pubchem number:24278420

physical property data

none

toxicological data

, acute toxicity: rat transperitoneal ldlo: 17mg/kg

rat brainldlo：1669ug/kg

mouse transperitoneal ld5o: 25mg/kg

2, mutagenicity: aspergillus nidulans sex chromosome defects and non-disjunction: 30umol/l

human hela cells dna inhibition test system: 750nmol/l

rat liverdna inhibition test system: 2umol

hamster lungdna inhibition test system: 750nmol/l

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 31.20

2. molar volume (m³/mol）：103.6

3. isotonic specific volume (90.2k):264.9

4. surface tension (dyne/cm):42.7

5. polarizability（10^-24cm³):12.37

compute chemical data

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

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 37.4

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 166

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

none

storage method

none

synthesis method

none

purpose

none

�42.7

5. polarizability（10^-24cm³):12.37

compute chemical data

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

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 37.4

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 166

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

none

storage method

none

synthesis method

none

purpose

none