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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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