methyl n-methylanthranilate methyl n-methylanthranilate

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:85-91-6

mdl number:mfcd00017183

einecs number:201-642-6

rtecs number:cb3500000

brn number:607217

pubchem number:24901282

physical property data

1. physical property data

1. properties: fluorescent colorless to light yellow liquid. orange-like aroma with floral aroma

2. density (g/ml,25/4℃): unsure

3. relative vapor density (g/ml,air=1): unsure

4. melting point (ºc):18.5～19.5℃

5. boiling point (ºc,normal pressure):256℃

6. boiling point (ºc,5.2kpa):130～131℃(1.6kpa)

7. refractive index: unsure

8. flashpoint (ºc):91℃

9. specific optical rotation (º)：sc0°

10. <span style="font-size: 9pt; font-famil

toxicological data

1, acute toxicity:

rat caliber ld50: 3380mg/kg;

mouse intravenous ld50: 180mg/kg;

2, other multiple dose toxicity:

rat calibertdl0:7380mg/kg/90d-c;

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 47.63

2. molar volume (m³/mol）：146.7

3. isotonic specific volume (90.2k):371.0

4. surface tension (dyne/cm):40.8

5. polarizability（10^-24cm³):18.88

compute chemical data

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

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 3

5. number of tautomers: 4

6. topological molecule polar surface area 38.3

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 159

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

7pt ‘times new roman'”> isotonic specific volume (90.2k ): 371.0

4. surface tension (dyne/cm):40.8

5. polarizability（10^-24cm³):18.88

compute chemical data

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

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 3

5. number of tautomers: 4

6. topological molecule polar surface area 38.3

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 159

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