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3-(N-Cyclohexylamino)propyltrimethoxysilane

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Name

3-(N-Cyclohexylamino)propyltrimethoxysilane

EINECS 221-329-8
CAS No. 3068-78-8 Density 0.96 g/cm3
PSA 39.72000 LogP 2.56780
Solubility 8.03-1000g/L at 20℃ Melting Point N/A
Formula C12H27NO3Si Boiling Point 291.9 °C at 760 mmHg
Molecular Weight 261.437 Flash Point 130.4 °C
Transport Information N/A Appearance N/A
Safety 3/7-9-26-36/37/39 Risk Codes 38-41
Molecular Structure Molecular Structure of 3068-78-8 (3-(N-CYCLOHEXYLAMINO)PROPYLTRIMETHOXYSILANE) Hazard Symbols N/A
Synonyms

Geniosil GF 92;MA 0701B;PSX 5411;SLM 50-892;[3-(Cyclohexylamino)propyl]trimethoxysilane;(N-Cyclohexyl-3-aminopropyl)trimethoxysilane;

 

3-(N-Cyclohexylamino)propyltrimethoxysilane Specification

The IUPAC name of 3-(N-Cyclohexylamino)propyltrimethoxysilane is N-(3-trimethoxysilylpropyl)cyclohexanamine. With the CAS registry number 3068-78-8 and EINECS 221-329-8, it is also named as cyclohexanamine, N-[3-(trimethoxysilyl)propyl]-. In addition, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of 3-(N-Cyclohexylamino)propyltrimethoxysilane can be summarized as: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.02; (4)ACD/LogD (pH 7.4): -0.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 30.93 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 73.17 cm3; (15)Molar Volume: 270.7 cm3; (16)Polarizability: 29×10-24 cm3; (17)Surface Tension: 29 dyne/cm; (18)Enthalpy of Vaporization: 53.14 kJ/mol; (19)Vapour Pressure: 0.00189 mmHg at 25°C; (20)Rotatable Bond Count: 8; (21)Exact Mass: 261.17602; (22)MonoIsotopic Mass: 261.17602; (23)Topological Polar Surface Area: 39.7; (24)Heavy Atom Count: 17; (25)Complexity: 186.

When you are using this chemical, please be cautious about it as the following:
It is not only irritating to skin, but also has risk of serious damage to the eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. 

People can use the following data to convert to the molecule structure. 
1. SMILES:O(C)[Si](OC)(OC)CCCNC1CCCCC1
2. InChI:InChI=1/C12H27NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3 
3. InChIKey:KGNDVXPHQJMHLX-UHFFFAOYAP

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