N-(2-cyanoethyl)-N-ethylaniline

Structural formula

Business number	03XM
Molecular formula	C11H14N2
Molecular weight	174.24
label	3-(ethylphenylamino)propionitrile, N-ethyl-N-cyanoethylaniline, 3-(Ethylphenylamino)propionitrile

• 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:148-87-8

MDL number:MFCD00019858

EINECS number:205-728-4

RTECS number:BY0100000

BRN number:None

PubChem number:24851743

Physical property data

1. Physical property data:

1. Characteristics: Light brown oily liquid

2. Density (g/mL,20℃): 1.03

3. Boiling point (ºC, Normal pressure): 176ºC

Toxicological data

2. Toxicological data:

1, acute toxicity: rat oral LD50: 4840 mg/kg;

Mouse oral LD50: 1510 mg/kg;

Rabbit oral LD50: 1510 mg/kg.

Ecological data

3. Ecological data:

Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.

Molecular structure data

5. Molecular property data:

1. Molar refractive index:54.59

2. Molar volume (m³/mol):168.1

3. Isotonic specific volume (90.2K):430.6

4. Surface tension (dyne/cm):43.0

5. Polarizability(10^-24cm³）：21.64

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 27

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 174

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

Seal and store in a dry and cool place. Molar volume (m³/mol):168.1

3. Isotonic specific volume (90.2K):430.6

4. Surface tension (dyne/cm):43.0

5. Polarizability(10^-24cm³）：21.64

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 27

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 174

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

Seal and store in a dry and cool place.

Synthesis method

None

Purpose

1.Used as dispersed orange 25, 37, 50, 76, disperse red 73, 145, 181 and other dyes.

2.It is the main raw material of dispersed yellow brown and dispersed orange.

l:namespace prefix = o ns = “urn:schemas-microsoft-com:office:office” />

Synthesis method

None

Purpose

1.Used as dispersed orange 25, 37, 50, 76, disperse red 73, 145, 181 and other dyes.

2.It is the main raw material of dispersed yellow brown and dispersed orange.