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1,6-Hexanediamine,N1-[3-(trimethoxysilyl)propyl]- (51895-58-0)

Identification
Name:1,6-Hexanediamine,N1-[3-(trimethoxysilyl)propyl]-
Synonyms:1,6-Hexanediamine,N-[3-(trimethoxysilyl)propyl]- (9CI);3-(6-Aminohexyl)aminopropyltrimethoxysilane;N-(6-Aminohexyl)-3-aminopropyltrimethoxysilane;N-[3-(Trimethoxysilyl)propyl]hexamethylenediamine;
CAS:51895-58-0
Molecular Formula: C12H30N2O3Si
Molecular Weight: 278.46
InChI: InChI=1/C12H30N2O3Si/c1-15-18(16-2,17-3)12-8-11-14-10-7-5-4-6-9-13/h14H,4-13H2,1-3H3
Molecular Structure: (C12H30N2O3Si) 1,6-Hexanediamine,N-[3-(trimethoxysilyl)propyl]- (9CI);3-(6-Aminohexyl)aminopropyltrimethoxysilane;N...
Properties
Density:0.947 g/cm3
Refractive index:1.4501
Specification:

The N-[3-Trimethoxysilyl]propyl]-1,6-hexanediamine, with the cas registry number 51895-58-0, has the systematic name of N-[3-(trimethoxysilyl)propyl]hexane-1,6-diamine. And the molecular formula of the chemical is C12H30N2O3Si.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 14; (10)Polar Surface Area: 65.74 Å2; (11)Index of Refraction: 1.448; (12)Molar Refractivity: 78.726 cm3; (13)Molar Volume: 293.934 cm3; (14)Polarizability: 31.21×10-24cm3; (15)Surface Tension: 29.448 dyne/cm; (16)Density: 0.947 g/cm3; (17)Flash Point: 147.996 °C; (18)Enthalpy of Vaporization: 56.283 kJ/mol; (19)Boiling Point: 321.099 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(C)[Si](OC)(OC)CCCNCCCCCCN
(2)InChI: InChI=1/C12H30N2O3Si/c1-15-18(16-2,17-3)12-8-11-14-10-7-5-4-6-9-13/h14H,4-13H2,1-3H3
(3)InChIKey: AMVXVPUHCLLJRE-UHFFFAOYAU

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