Structural formula
| Business number | 02ZX |
|---|---|
| Molecular formula | C3H9NO |
| Molecular weight | 75.11 |
| label |
N-methylmonoethanolamine, N-methyl-2-hydroxyethylamine, 2-methylaminoethanol, 2-methylaminoethanol, N-methylmonoethanolamine, Methyl ethanolamine, CH3NHCH2CH2OH, N-Methylethanolamine, aliphatic compounds |
Numbering system
CAS number:109-83-1
MDL number:MFCD00002839
EINECS number:203-710-0
RTECS number:KL6650000
BRN number:1071196
PubChem number:24870733
Physical property data
1. Characteristics: Colorless liquid , has a special odor.
2. Density（g/mL,20℃）：0.94
3. Relative vapor density (g/mL,Air=1 ): 2.6
4. Melting point (ºC): -4
5. Boiling point (ºC,normal pressure): 158
6. Boiling point (ºC,kPa): Undetermined
7. Refractive index:1.439 ; mso-bidi-font-family: Arial; mso-font-kerning: 0pt”>
8. Flashpoint (ºC): 73
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): 350
11. Vapor pressure (mmHg, ºC): Undetermined
12. Saturated vapor pressure (kPa, 28ºC): 0.09
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion limit (%,V/V): 19.8
18. Lower explosion limit (%,V/V): 1.6
19. Solubility:Easily soluble in water.
Toxicological data
1, acute toxicity: oral administration to rats LD5O：2340mg/kg
Ecological data
This substance is slightly harmful to water bodies.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 21.07
2. Molar volume (m3/mol）：84.3
3. isotonic specific volume (90.2K):196.1
4. Surface Tension (dyne/cm):39.2
5. Polarizability（10-24cm3):8.35
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 32.3
7. Number of heavy atoms: 5
8. Surface charge: 0
9. Complexity: 16.4
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
Avoid withStrong oxidants, copper and its alloys, zinc, acidsContact.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, acids, etc., and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None yet
Purpose
Used as pharmaceutical and organic synthesis intermediates.
-FAMILY: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>isotonic ratio (90.2K):196.1
4. Surface Tension (dyne/cm):39.2
5. Polarizability（10-24cm3):8.35
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 32.3
7. Number of heavy atoms: 5
8. Surface charge: 0
9. Complexity: 16.4
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
Avoid withStrong oxidants, copper and its alloys, zinc, acidsContact.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, acids, etc., and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None yet
Purpose
Used as pharmaceutical and organic synthesis intermediates.
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