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3-(N-Allylamino)propyltrimethoxysilane

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Name

3-(N-Allylamino)propyltrimethoxysilane

EINECS 250-435-7
CAS No. 31024-46-1 Density 0.93 g/cm3
PSA 39.72000 LogP 1.42110
Solubility N/A Melting Point N/A
Formula C9H21NO3Si Boiling Point 225.9 °C at 760 mmHg
Molecular Weight 219.356 Flash Point 90.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 31024-46-1 (3-(N-ALLYLAMINO)PROPYLTRIMETHOXYSILANE) Hazard Symbols N/A
Synonyms

Allylamine,N-[3-(trimethoxysilyl)propyl]- (8CI);3-(N-Allylamino)propyltrimethoxysilane;N-Allyl-g-aminopropyltrimethoxysilane;X12-563;

 

3-(N-Allylamino)propyltrimethoxysilane Specification

The IUPAC name of 3-(N-Allylamino)propyltrimethoxysilane is N-Prop-2-enyl-3-trimethoxysilylpropan-1-amine. With the CAS registry number 31024-46-1, it is also named as N-Allyl-g-aminopropyltrimethoxysilane. The product's category is Silane Reagent. In addition, its molecular formula is C9H21NO3Si and its molecular weight is 219.35. 

The other characteristics of 3-(N-Allylamino)propyltrimethoxysilane can be summarized as: (1)EINECS: 250-435-7; (2)ACD/LogP: 0.72; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -2.36; (5)ACD/LogD (pH 7.4): -1.68; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 4; (11)H bond donors: 1; (12)Freely Rotating Bonds: 9; (13)Polar Surface Area: 30.93 Å2; (14)Index of Refraction: 1.43; (15)Molar Refractivity: 61.01 cm3; (16)Molar Volume: 235.8 cm3; (17)Polarizability: 24.18×10-24cm3; (18)Surface Tension: 24.6 dyne/cm; (19)Density: 0.93 g/cm3; (20)Flash Point: 90.4 °C; (21)Enthalpy of Vaporization: 46.25 kJ/mol; (22)Boiling Point: 225.9 °C at 760 mmHg; (23)Vapour Pressure: 0.0841 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 3-(N-Allylamino)propyltrimethoxysilane is irritating to eyes, respiratory system and skin. Please wear suitable protective clothing, gloves and eye/face protection. Besides, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O(C)[Si](OC)(OC)CCCNC\C=C
(2)InChI:InChI=1/C9H21NO3Si/c1-5-7-10-8-6-9-14(11-2,12-3)13-4/h5,10H,1,6-9H2,2-4H3
(3)InChIKey:UBVMBXTYMSRUDX-UHFFFAOYAV
(4)Std. InChI:InChI=1S/C9H21NO3Si/c1-5-7-10-8-6-9-14(11-2,12-3)13-4/h5,10H,1,6-9H2,2-4H3
(5)Std. InChIKey:UBVMBXTYMSRUDX-UHFFFAOYSA-N

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