Toluene diisocyanate manufacturer Knowledge 2-Dimethylaminomethylphenol 2-Dimethylaminomethylphenol

2-Dimethylaminomethylphenol 2-Dimethylaminomethylphenol

2-Dimethylaminomethylphenol Structural Formula

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 volumem3/ mol144.4


3. isotonic ratio90.2K364.3


4. Surface Tension(dyne/cm)40.4


5. Dielectric constant:


6. Dipole moment10 -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 tensiondyne/cm40.4


5. Dielectric constant:


6. Dipole moment10 -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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