2-dimethylaminomethylphenol 2-dimethylaminomethylphenol

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:120-65-0

mdl number:mfcd00045793

einecs number:204-413-9

rtecs number:none

brn number:none

pubchem id:none

physical property data

none yet

toxicological data

1, acute toxicity: rat peritoneal cavity ld: >500mg/kg

mouse oral ld50: 1450mg/kg

2, mutagenic toxicity: salmonella typhi mutation: 1mg/plate

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 46.03

2. molar volume（m³/ mol）：144.4

3. isotonic ratio（90.2k）：364.3

4. surface tension(dyne/cm)：40.4

5. dielectric constant:

6. dipole moment（10 ^-24cm³)：

7. polarizability: 18.25

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: 2

4. number of rotatable chemical bonds: 2

5. number of tautomers: 3

6. topological molecule polar surface area 23.5

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 114

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet

e: 9pt; font-family: 宋体; mso-ascii-font-family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>surface tension（dyne/cm）：40.4

5. dielectric constant:

6. dipole moment（10 ^-24cm³)：

7. polarizability: 18.25

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: 2

4. number of rotatable chemical bonds: 2

5. number of tautomers: 3

6. topological molecule polar surface area 23.5

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 114

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet