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Cas Database

Name	N-[3-(Trimethoxysilyl)propyl]aniline	EINECS	221-328-2
CAS No.	3068-76-6	Density	1.037 g/cm³
PSA	39.72000	LogP	2.43970
Solubility	993-1000000mg/L at 20℃	Melting Point	<0 °C
Formula	C₁₂H₂₁NO₃Si	Boiling Point	309.6 °C at 760 mmHg
Molecular Weight	255.389	Flash Point	141 °C
Transport Information	UN 3267 8/PG 2	Appearance	Yellowish clear liquid
Safety	26-36/37/39-45	Risk Codes	34-40-48-20/21/22-52/53
Molecular Structure		Hazard Symbols	C
Synonyms	Aniline,N-[3-(trimethoxysilyl)propyl]- (7CI,8CI);Silane, (3-anilinopropyl)trimethoxy-(8CI);(3-Anilinopropyl)trimethoxysilane;(N-Phenyl-g-aminopropyl)trimethoxysilane;(g-Anilinopropyl)trimethoxysilane;3-(N-Phenylaminopropyl)trimethoxysilane;3-(Phenylaminopropyl)trimethoxysilane;A 9669;KBM 573;N-Phenyl-3-aminopropyltrimethoxysilane;SZ 6083;Silquest Y 9669;Trimethoxy[3-(phenylamino)propyl]silane;Y 5669;Y 9669;g-[(Phenylamino)propyl]trimethoxysilane;	Article Data	2

N-[3-(Trimethoxysilyl)propyl]aniline Synthetic route

: 62-53-3
aniline

: 2530-87-2
3-Chloropropyltrimethoxysilan

: 3068-76-6
N-phenyl-N-(3-trimethoxysilylpropyl)amine

Conditions

Conditions	Yield
With polyaniline at 160℃; for 5h;	90.1%
at 90 - 100℃; for 8h;

: 30674-80-7
2-Isocyanatoethyl methacrylate

: 3068-76-6
N-phenyl-N-(3-trimethoxysilylpropyl)amine

: 3,3-dimethoxy-8-oxo-7-phenyl-2-oxa-7,9-diaza-3-silaundecan-11-yl methacrylate

Conditions

Conditions	Yield
at 50℃;	100%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 3068-76-6
N-phenyl-N-(3-trimethoxysilylpropyl)amine

: 3,3-dimethoxy-8-oxo-7-phenyl-2-oxa-7,9-diaza-3-silaundecan-11-yl acrylate

Conditions

Conditions	Yield
at 45℃;	100%

: 106-91-2
2,3-Epoxypropyl methacrylate

: 3068-76-6
N-phenyl-N-(3-trimethoxysilylpropyl)amine

: 2-hydroxy-3-(phenyl(3-(trimethoxysilyl)propyl)amino)propyl methacrylate

Conditions

Conditions	Yield
With dmap; dibutyltin dilaurate at 20℃;	100%

: 13818-44-5
(2-oxo-1,3-dioxolane-4-yl)methyl methacrylate

: 3068-76-6
N-phenyl-N-(3-trimethoxysilylpropyl)amine

: 11-hydroxy-3,3-dimethoxy-8-oxo-7-phenyl-2,9-dioxa-7-aza-3-siladodecan-12-yl methacrylate

Conditions

Conditions	Yield
at 20℃;	100%

: 50606-96-7
4-heptylbenzoyl chloride

: 3068-76-6
N-phenyl-N-(3-trimethoxysilylpropyl)amine

: C26H39NO4Si

Conditions

Conditions	Yield
With triethylamine In toluene at 5 - 20℃; for 1.5h;	99%

: C23H20ClNO4S

: 3068-76-6
N-phenyl-N-(3-trimethoxysilylpropyl)amine

: C35H40N2O7SSi

Conditions

Conditions	Yield
In chloroform at 40 - 80℃; for 12h;	43%

: 3068-76-6
N-phenyl-N-(3-trimethoxysilylpropyl)amine

: phenyl-(3-trifluorosilanyl-propyl)-amine; compound with trifluoroborane

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate

: 103-71-9
phenyl isocyanate

: 3068-76-6
N-phenyl-N-(3-trimethoxysilylpropyl)amine

: C19H26N2O3Si

Conditions

Conditions	Yield
at 20 - 70℃;

: 67-56-1
methanol

: 50-00-0
formaldehyd

: 3068-76-6
N-phenyl-N-(3-trimethoxysilylpropyl)amine

: 1440530-99-3
N-(methoxymethyl)-N-phenyl-N-(3-trimethoxysilylpropyl)amine

Conditions

Conditions	Yield
at 65℃; for 1h; Inert atmosphere;
at 65℃; for 1h; Inert atmosphere;

N-[3-(Trimethoxysilyl)propyl]aniline Specification

The Benzenamine,N-[3-(trimethoxysilyl)propyl]-, with CAS registry number 3068-76-6, belongs to the following product categories: (1)Si (Classes of Silicon Compounds); (2)Si-O Compounds; (3)Trialkoxysilanes; (4)Amino Silanes. It has the systematic name of N-[3-(trimethoxysilyl)propyl]aniline. This chemical is a kind of yellowish clear liquid. What's more, its EINECS is 221-328-2.

Physical properties of Benzenamine,N-[3-(trimethoxysilyl)propyl]-: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 11.18; (6)ACD/BCF (pH 7.4): 14.84; (7)ACD/KOC (pH 5.5): 180.51; (8)ACD/KOC (pH 7.4): 239.65; (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: 1.504; (14)Molar Refractivity: 72.97 cm³; (15)Molar Volume: 246.2 cm³; (16)Polarizability: 28.93×10^-24cm³; (17)Surface Tension: 31.4 dyne/cm; (18)Density: 1.037 g/cm³; (19)Flash Point: 141 °C; (20)Enthalpy of Vaporization: 55.03 kJ/mol; (21)Boiling Point: 309.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000634 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,N-[3-(trimethoxysilyl)propyl]- is harmful by inhalation, in contact with skin and if swallowed. This chemical may cause burns. It also has limited evidence of a carcinogenic effect and has danger of serious damage to health by prolonged exposure. It is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)[Si](OC)(OC)CCCNc1ccccc1
(2)InChI: InChI=1/C12H21NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3
(3)InChIKey: KBJFYLLAMSZSOG-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H21NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3
(5)Std. InChIKey: KBJFYLLAMSZSOG-UHFFFAOYSA-N

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