1,2-diphenylamineethane

Structural formula

Business number	03YA
Molecular formula	C14H16N2
Molecular weight	212.29
label	triethyldiamine, N,N′-Ethylenedianiline, 1,2-Dianilinoethane

• 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:150-61-8

MDL number:MFCD00003019

EINECS number:205-765-6

RTECS number:KV4800000

BRN number:646740

PubChem ID:None

Physical property data

1. Physical property data:

1. Character:White crystal.

2. Flash point (ºC):228 ºC

3. Melting point (℃): 67.5

4. Boiling point (ºC,1.60kpa ): 228～230

5. Solubility: Easily soluble in ethanol and ether, insoluble in water.

6. Density (g/mL, 25/4℃): 1.14

Toxicological data

2. Toxicological data:

1, acute toxicity: rat oral LDLo：500 mg/kg

Ecological data

3. Ecological data:

Other harmful Effect: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index:69.67

2. Molar volume (m³/ mol):189.2

3. Isotonic specific volume (90.2K): 500.1

4. Surface tension (dyne/cm): 48.7

5. Polarizability（10^-24cm³):27.62

Schedulinglign=left>5. Molecular property data:

1. Molar refractive index:69.67

2. Molar volume (m³/ mol):189.2

3. Isotonic specific volume (90.2K): 500.1

4. Surface tension (dyne/cm): 48.7

5. Polarizability（10^-24cm³):27.62

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 24.1

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 150

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

Stable under normal temperature and pressure.

Storage method

Should be sealed and stored in a cool place.

Synthesis method

None

Purpose

For the determination of aldehydes. Stabilizer for rubber and resins. Intermediates for the manufacture of antihistamine drugs.

�Chemical Data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 24.1

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 150

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

Stable under normal temperature and pressure.

Storage method

Should be sealed and stored in a cool place.

Synthesis method

None

Purpose

For the determination of aldehydes. Stabilizer for rubber and resins. Intermediates for the manufacture of antihistamine drugs.