N,N-Dimethylhexadecylamine N,N-Dimethylhexadecylamine

Structural formula

Business number	036E
Molecular formula	C18H39N
Molecular weight	269.51
label	Cetyl dimethyl tertiary amine, N,N-dimethyl-1-hexadecylamine, Hexadecyl tertiary amine, dimethyl palmitylamine, Hexadecyldimethylamine, 1-(Dimethylamino)hexadecane, linear compound

• 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:112-69-6

MDL number:MFCD00015086

EINECS number:203-997-2

RTECS number:MM0750000

BRN number:1755921

PubChem number:24865258

Physical property data

1. Character: Undetermined

2. Density (g/mL,20℃):0.801

3. Relative vapor density (g/mL,Air=1): Undetermined

4. Melting point (ºC)：：Undetermined

5. Boiling point (ºC,normal pressure): Undetermined

6. Boiling point (ºC,kPa): Undetermined

7. Refractive index:1.444

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

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

11. Vapor pressure (mmHg,ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined

17. Explosion upper limit (%,V/V): Undetermined

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

19. Solubility: Undetermined

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 89.16

2. Molar volume (m³/mol）：332.9

3. isotonic specific volume (90.2K):773.9

4. Surface Tension (dyne/cm):29.2

5. Polarizability（10^-24cm³):35.34

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: 1

4. Number of rotatable chemical bonds: 15

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 154

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

Storage method

None

Synthesis method

None

Purpose

None

m-alt: auto; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt” align=left>4. Surface Tension (dyne/cm）：29.2

5. Polarizability（10^-24cm³):35.34

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: 1

4. Number of rotatable chemical bonds: 15

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 154

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

Storage method

None

Synthesis method

None

Purpose

None