N-m-Tolylphthalamine acid N-m-Tolylphthalamine acid

Structural formula

Business number	01W6
Molecular formula	C15H13NO3
Molecular weight	255
label	3′-Methylphthalide, 3′-Methylphthalanilic acid, Plant Growth Regulator

• 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:85-72-3

MDL number:None

EINECS number:201-626-9

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Physical property data

1. Character: Uncertain.

2. Density (g/mL,25/4℃): Unsure

3. Relative vapor density (g/mL,AIR=1): Unsure

4. Melting point (ºC): Unsure

5. Boiling point (ºC,Normal pressure): Unsure

6. Boiling point (ºC,5.2kPa): Unsure

7. Refractive index: Unsure

8. Flashpoint (ºC): Unsure

9. Specific optical rotation (º): Unsure

10. Autoignition point or ignition temperature (ºC): Unsure

11. Vapor pressure (kPa,25ºC): UnsureOil and water (octanol/Log value of partition coefficient for water: Uncertain

17. Explosion limit (%,V/V): Unsure

18. Lower explosion limit (%,V/V): Unsure

19. Solubility: Uncertain.

Toxicological data

1, acute toxicity:

Rat caliber LD50: 5230mg/kg;

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 72.58

2. Molar volume (m³/mol）：197.1

3. isotonic specific volume (90.2K):546.6

4. Surface Tension (dyne/cm):59.1

5. Polarizability（10^-24cm³):28.77

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 2

6. Topological molecule polar surface area 66.4

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 342

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

FONT-SIZE: 9pt; FONT-FAMILY: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>5. Molecular property data:

1. Molar refractive index: 72.58

2. Molar volume (m³/mol）：197.1

3. isotonic specific volume (90.2K):546.6

4. Surface Tension (dyne/cm):59.1

5. Polarizability（10^-24cm³):28.77

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 2

6. Topological molecule polar surface area 66.4

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 342

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

9

8. Surface charge: 0

9. Complexity: 342

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