Methyl N-Methylanthranilate Methyl N-Methylanthranilate
Structural formula
| Business number | 01WD |
|---|---|
| Molecular formula | C9H11NO2 |
| Molecular weight | 165.19 |
| label |
Methyl 2-(methylamino)benzoate, Methyl N-methyl anthranilate, Methyl anthranilate, Dimethyl anthranilate, (CH3NH)C6H4CO2CH3 |
Numbering system
CAS number:85-91-6
MDL number:MFCD00017183
EINECS number:201-642-6
RTECS number:CB3500000
BRN number:607217
PubChem number:24901282
Physical property data
1. Physical property data
1. Properties: Fluorescent colorless to light yellow liquid. Orange-like aroma with floral aroma
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC):18.5～19.5℃
5. Boiling point (ºC,Normal pressure):256℃
6. Boiling point (ºC,5.2kPa):130～131℃(1.6kPa)
7. Refractive index: Unsure
8. Flashpoint (ºC):91℃
9. Specific optical rotation (º)：Sc0°
10. <SPAN style="FONT-SIZE: 9pt; FONT-FAMIL
Toxicological data
1, acute toxicity:
Rat caliber LD50: 3380mg/kg;
Mouse intravenous LD50: 180mg/kg;
2, other multiple dose toxicity:
Rat caliberTDL0:7380mg/kg/90D-C;
Ecological data
None
Molecular structure data
5. Molecular property data: 1. Molar refractive index: 47.63 2. Molar volume (m3/mol）：146.7 3. isotonic specific volume (90.2K):371.0 4. Surface Tension (dyne/cm):40.8 5. Polarizability（10-24cm3):18.88
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: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 4
6. Topological molecule polar surface area 38.3
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 159
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
Storage method
None
Synthesis method
None
Purpose
None
7pt ‘Times New Roman'”> Isotonic specific volume (90.2K ): 371.0
4. Surface Tension (dyne/cm):40.8
5. Polarizability（10-24cm3):18.88
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: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 4
6. Topological molecule polar surface area 38.3
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 159
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
Storage method
None
Synthesis method
None
Purpose
None