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