Product Name

  • Name

    N,N'-dihexadecylethylenediamine

  • EINECS 226-677-4
  • CAS No. 5451-07-0
  • Density 0.837 g/cm3
  • Solubility
  • Melting Point
  • Formula C34H72N2
  • Boiling Point 582.5 °C at 760 mmHg
  • Molecular Weight 508.959
  • Flash Point 310.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 5451-07-0 (N,N'-dihexadecylethylenediamine)
  • Hazard Symbols
  • Synonyms 1,2-Ethanediamine,N,N'-dihexadecyl- (9CI);Ethylenediamine, N,N'-dihexadecyl- (7CI,8CI);N,N'-Dicetylethylenediamine;N,N'-Dihexadecyl-1,2-ethanediamine;NSC 18504;
  • PSA 24.06000
  • LogP 11.91000

1,2-Ethanediamine,N1,N2-dihexadecyl- Specification

This chemical is called 1,2-Ethanediamine,N1,N2-dihexadecyl-, and its systematic name is N,N'-dihexadecylethane-1,2-diamine. With the molecular formula of C34H72N2, its molecular weight is 508.94888. The CAS registry number of this chemical is 5451-07-0.

Other characteristics of the 1,2-Ethanediamine,N1,N2-dihexadecyl- can be summarised as followings: (1)ACD/LogP: 15.20; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11.37; (4)ACD/LogD (pH 7.4): 12.33; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 656765; (8)ACD/KOC (pH 7.4): 5995328; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 33; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 166.75 cm3; (15)Molar Volume: 607.3 cm3; (16)Polarizability: 66.1×10-24cm3; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 0.837 g/cm3; (19)Flash Point: 310.3 °C; (20)Enthalpy of Vaporization: 87.09 kJ/mol; (21)Boiling Point: 582.5 °C at 760 mmHg; (22)Vapour Pressure: 1.47E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: N(CCCCCCCCCCCCCCCC)CCNCCCCCCCCCCCCCCCC
2.InChI: InChI=1/C34H72N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-33-34-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3
3.InChIKey: ZXQDJNRWUYMIMK-UHFFFAOYAV

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