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
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