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
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
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
