Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

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Identification

英文名	N-(1,3-Dimethylbutylidene)-3-(triethoxysilyl)-1-propanamine
IUPAC Name	4-methyl-N-(3-triethoxysilylpropyl)pentan-2-imine
分子结构
CAS编号	116229-43-7
EINECS Number	No data available
MDL Number	No data available
Beilstein Registry Number	No data available
别名	(2E)-4-Methyl-N-[3-(triethoxysilyl)propyl]-2-pentanimin;1-Propanamine, N-[(1E)-1,3-dimethylbutylidene]-3-(triethoxysilyl)-; N-(1,3-Dimethylbutylidene)-3-(triethoxysilyl)-1-propanamine;(E)-(4-METHYLPENTAN-2-YLIDENE)[3-(TRIETHOXYSILYL)PROPYL]AMINE (E)-4-methyl-N-(3-(triethoxysilyl)propyl)pentan-2-imine;1-Propanamine,N-(1,3-dimethylbutylidene)-3-(triethoxysilyl)-;3-(1,3-dimethylbutylidene) aminopropyl triethoxysilane
分子式	C15H33NO3Si
分子量	303.513
InChI	InChI=1S/C15H33NO3Si/c1-7-17-20(18-8-2,19-9-3)12-10-11-16-15(6)13-14(4)5/h14H,7-13H2,1-6H3/b16-15+
InChI Key	PRKPGWQEKNEVEU-FOCLMDBBSA-N
Canonical SMILES	O(CC)[Si](OCC)(OCC)CCC/N=C(\C)CC(C)C

Patent Information

No data available

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Physical Data

Appearance	Pale yellow to brown transparent liquid
Solubility	No data available
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available

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Spectra

Boiling Point, °C	Pressure (Boiling Point), Torr
170	10
108	1.57
124	2.4
120	1.73

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Route of Synthesis (ROS)

Conditions	Yield
With orthocarbonic acid tetraethyl ester at 77℃; for 8h; Temperature; Inert atmosphere; Large scale;	87.16%
at 82 – 118℃; for 2.5h; Conversion of starting material;
for 2.91667h; Dean-Stark; Inert atmosphere; Reflux;
at 105 – 115℃; for 7h; Time;	802g

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Safety and Hazards

GHS Hazard Statements	Not Classified
	For more detailed information, please visit ECHA C&L website

Source: European Chemicals Agency (ECHA) License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. License URL: https://echa.europa.eu/web/guest/legal-notice Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446 Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database

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Other Data

Transportation	NONH for all modes of transport
	Under the room temperature and away from light
HS Code	No data available
Storage	Under the room temperature and away from light
Shelf Life	1 year
Market Price	USD

Druglikeness
Lipinski rules component
分子量	303.517
logP	3.759
HBA	4
HBD	0
Matching Lipinski Rules	4
Veber rules component
Polar Surface Area (PSA)	40.05
Rotatable Bond (RotB)	12
Matching Veber Rules	1

Use Pattern

N-(1,3-Dimethylbutylidene)-3-(triethoxysilyl)-1-propanamine CAS#: 116229-43-7 is used in adhesives, coatings and inks, rubber, casting, glass fiber, cables, textiles, plastics, fillers, surface treatment and other industries.

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