Product Name

  • Name

    N-[3-(TRIMETHOXYSILYL)PROPYL]ANILINE

  • EINECS 221-328-2
  • CAS No. 3068-76-6
  • Article Data2
  • CAS DataBase
  • Density 1.037 g/cm3
  • 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 Molecular Structure of 3068-76-6 (N-[3-(TRIMETHOXYSILYL)PROPYL]ANILINE)
  • Hazard Symbols CorrosiveC
  • 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;
  • PSA 39.72000
  • LogP 2.43970

Synthetic route

aniline
62-53-3

aniline

3-Chloropropyltrimethoxysilan
2530-87-2

3-Chloropropyltrimethoxysilan

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

N-phenyl-N-(3-trimethoxysilylpropyl)amine

Conditions
ConditionsYield
With polyaniline at 160℃; for 5h;90.1%
at 90 - 100℃; for 8h;
2-Isocyanatoethyl methacrylate
30674-80-7

2-Isocyanatoethyl methacrylate

N-phenyl-N-(3-trimethoxysilylpropyl)amine
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

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

Conditions
ConditionsYield
at 50℃;100%
acrylic acid 2-isocyanatoethyl ester
13641-96-8

acrylic acid 2-isocyanatoethyl ester

N-phenyl-N-(3-trimethoxysilylpropyl)amine
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

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

Conditions
ConditionsYield
at 45℃;100%
2,3-Epoxypropyl methacrylate
106-91-2

2,3-Epoxypropyl methacrylate

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

N-phenyl-N-(3-trimethoxysilylpropyl)amine

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

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

Conditions
ConditionsYield
With dmap; dibutyltin dilaurate at 20℃;100%
(2-oxo-1,3-dioxolane-4-yl)methyl methacrylate
13818-44-5

(2-oxo-1,3-dioxolane-4-yl)methyl methacrylate

N-phenyl-N-(3-trimethoxysilylpropyl)amine
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

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

Conditions
ConditionsYield
at 20℃;100%
4-heptylbenzoyl chloride
50606-96-7

4-heptylbenzoyl chloride

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

N-phenyl-N-(3-trimethoxysilylpropyl)amine

C26H39NO4Si

C26H39NO4Si

Conditions
ConditionsYield
With triethylamine In toluene at 5 - 20℃; for 1.5h;99%
C23H20ClNO4S

C23H20ClNO4S

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

N-phenyl-N-(3-trimethoxysilylpropyl)amine

C35H40N2O7SSi

C35H40N2O7SSi

Conditions
ConditionsYield
In chloroform at 40 - 80℃; for 12h;43%
N-phenyl-N-(3-trimethoxysilylpropyl)amine
3068-76-6

N-phenyl-N-(3-trimethoxysilylpropyl)amine

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

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

Conditions
ConditionsYield
With boron trifluoride diethyl etherate
phenyl isocyanate
103-71-9

phenyl isocyanate

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

N-phenyl-N-(3-trimethoxysilylpropyl)amine

C19H26N2O3Si

C19H26N2O3Si

Conditions
ConditionsYield
at 20 - 70℃;
methanol
67-56-1

methanol

formaldehyd
50-00-0

formaldehyd

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

N-phenyl-N-(3-trimethoxysilylpropyl)amine

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

N-(methoxymethyl)-N-phenyl-N-(3-trimethoxysilylpropyl)amine

Conditions
ConditionsYield
at 65℃; for 1h; Inert atmosphere;
at 65℃; for 1h; Inert atmosphere;
...Expand
benzene-1,2-diol
120-80-9

benzene-1,2-diol

diisopropylamine
108-18-9

diisopropylamine

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

N-phenyl-N-(3-trimethoxysilylpropyl)amine

diisopropylammonium bis(catecholato)(3-anilinopropyl)silicate

diisopropylammonium bis(catecholato)(3-anilinopropyl)silicate

Conditions
ConditionsYield
Stage #1: benzene-1,2-diol; diisopropylamine In tetrahydrofuran at 20℃; for 0.25h; Inert atmosphere; Sealed tube;
Stage #2: N-phenyl-N-(3-trimethoxysilylpropyl)amine In tetrahydrofuran at 75℃; for 16h; Inert atmosphere; Sealed tube;
Inert atmosphere; Autoclave; Reflux;
...Expand
N-phenyl-N-(3-trimethoxysilylpropyl)amine
3068-76-6

N-phenyl-N-(3-trimethoxysilylpropyl)amine

2,2-dimethoxy-1-phenyl-1-aza-2-silacyclopentane

2,2-dimethoxy-1-phenyl-1-aza-2-silacyclopentane

Conditions
ConditionsYield
With trifluorormethanesulfonic acid; 1,1,1,3,3,3-hexamethyl-disilazane In toluene for 4h; Reflux;
triethanolamine
102-71-6

triethanolamine

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

N-phenyl-N-(3-trimethoxysilylpropyl)amine

1-N-phenylaminopropyl silatrane
85952-93-8

1-N-phenylaminopropyl silatrane

Conditions
ConditionsYield
With potassium hydroxide In toluene for 5h;
2-isocyanato-2-methylpropane-1,3-diyl diacrylate
886577-76-0

2-isocyanato-2-methylpropane-1,3-diyl diacrylate

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

N-phenyl-N-(3-trimethoxysilylpropyl)amine

C23H34N2O8Si

C23H34N2O8Si

Conditions
ConditionsYield
With dibutyltin dilaurate In butanone at 35℃; for 0.5h;
chloro-trimethyl-silane
75-77-4

chloro-trimethyl-silane

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

N-phenyl-N-(3-trimethoxysilylpropyl)amine

3-(N-phenyl-N-trimethylsilylamino)propyltrimethoxysilane

3-(N-phenyl-N-trimethylsilylamino)propyltrimethoxysilane

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 50 - 60℃; for 4h; Reagent/catalyst; Inert atmosphere;97.94 %Chromat.

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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