2-dimethylaminomethylphenol 2-dimethylaminomethylphenol
structural formula
| business number | 03cl |
|---|---|
| molecular formula | c9h13no |
| molecular weight | 151.21 |
| label |
2-[(dimethylamino)methyl]-pheno, alpha-dimethylamino-o-cresol, o-(dimethylaminomethyl) phenol, α-dimethylamino-o-cresol, aromatic compounds |
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
