2,4-diaminodiphenylamine

Structural formula

Business number	03QP
Molecular formula	C12H13N3
Molecular weight	199.26
label	2,4-diaminodiphenylamine, 4-Phenylaminobenzene-1,3-diamine, N’-Phenyl-1,2,4-benzenetriamine, N-Phenyl-1,2,4-benzenetriamine, aromatic compounds

• 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:136-17-4

MDL number:MFCD00025285

EINECS number:None

RTECS number:DC1954000

BRN number:None

PubChem ID:None

Physical property data

None

Toxicological data

Acute toxicity data :

Mouse vein LD50：56mg/kg

Ecological data

None

Molecular structure data

Molecular property data:

1, Molar refractive index：64.09

2、 Molar volume（m³/mol):160.0

3、 Isotonic specific volume（90.2K）：452.2

4、 Surface tension(3.0 dyne/cm) ：63.7

5、 Polarizability（0.5 10^-24cm³):25.41

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.1

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 64.1

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 189

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

Molecular property data:

1, Molar refractive index：64.09

2、 Molar volume（m³/mol):160.0

Polarizability(0.5 10^-24cm³):25.41

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.1

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 64.1

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 189

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

Molecular property data:

1, Molar refractive index：64.09

2、 Molar volume（m³/mol):160.0

3、 Isotonic specific volume（90.2K）：452.2

4、 Surface tension(3.0 dyne/cm) ：63.7

5、 Polarizability（0.5 10^-24cm³):25.41

Storage method

None

Synthesis method

None

Purpose

None

rmal style=”BACKGROUND: white; MARGIN: 0cm 0cm 0pt 80.25pt; TEXT-INDENT: -54.75pt; LINE-HEIGHT: 13.5pt; TEXT-ALIGN: left; mso-margin-top-alt: auto; mso-margin -bottom-alt: auto; mso-pagination: widow-orphan; tab-stops: list 36.0pt” align=left>3, Isotonic specific volume（90.2K）：452.2

4、 Surface tension(3.0 dyne/cm) ：63.7

5、 Polarizability（0.5 10^-24cm³):25.41

Storage method

None

Synthesis method

None

Purpose

None