N,N-bis(3-aminopropyl)methylamine N,N-bis(aminopropyl)methylamine

Structural formula

• 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:105-83-9

MDL number:MFCD00008217

EINECS number:203-336-8

RTECS number:JL9625000

BRN number:None

PubChem number:24851162

Physical property data

1. Characteristics: Undetermined

2. Density (g/mL, 25℃): Undetermined

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): 110

6. Boiling point (ºC , mmHg): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation ( º): Not determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 20ºC): Not determined

12. Saturated vapor pressure (kPa, 25ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined Determined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Undetermined

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Toxicological data

1. Skin/eye irritation: Start irritation test: rabbit skin contact, 100μg/24H; Standard Dresser test: rabbit eye contact, 5mgREACTION SEVERITY, strong reaction; 2. Acute toxicity: Rat oral LD50: 1540μL/kg ; Rat inhalation LCLo: 333ppm/1H; Rabbit skin contact LD50: 140μL/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 45.27

2. Molar volume (cm³/mol): 158.6

3. Isotonic specific volume (90.2K ): 394.4

4. Surface tension (dyne/cm): 38.1

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 17.94

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 55.3

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 57.9

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