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N-Phenyl-3-Aminopropyltrimethoxysilane
CAS: 3068-76-6 | C12H21NO3Si
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
3068-76-6
Molecular Formula:
C12H21NO3Si
Molecular Mass:
255.39 g/mol
Names and Synonyms:
N-Phenyl-3-Aminopropyltrimethoxysilane
Benzenamine, N-[3-(trimethoxysilyl)propyl]-
Aniline, N-[3-(trimethoxysilyl)propyl]-
Silane, (3-anilinopropyl)trimethoxy-
N-[3-(Trimethoxysilyl)propyl]benzenamine
Y 5669
Trimethoxy[3-(phenylamino)propyl]silane
P 0156
(γ-Anilinopropyl)trimethoxysilane
γ-[(Phenylamino)propyl]trimethoxysilane
3-(N-Phenylaminopropyl)trimethoxysilane
KBM 573
(N-Phenyl-γ-aminopropyl)trimethoxysilane
SZ 6083
3-(Phenylaminopropyl)trimethoxysilane
Y 9669
N-[3-(Trimethoxysilyl)propyl]aniline
(3-Anilinopropyl)trimethoxysilane
Silquest Y 9669
A 9669
Y 6996
N-Phenyl-3-aminopropyltrimethoxysilane
U 141
Z 6883
SIP 6724.0
Phenylaminopropyltrimethoxysilane
CF 4083
γ-Anilinopropyltrimethoxysilane
γ-N-Phenylaminopropyltrimethoxysilane
XS 1075
X 12-1191
UP 908
Identifiers:
SMILES:
CO[Si](CCCNc1ccccc1)(OC)OC
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
Key Properties
Boiling Point
132-135 °C @ Press: 0.3 Torr
CAS Common Chemistry
Density
1.07 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 255.39 g/mol | CAS Common Chemistry |
| 255.39000000000001 g/mol | RDKit | |
| 255.129070062 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.070 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 132-135 °C @ Press: 0.3 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCNC=1C=CC=CC1 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=KBJFYLLAMSZSOG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Phenyl-3-aminopropyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 39.72 Ų | RDKit |
| LogP | 2.3667 | RDKit |
| Molar Refractivity | 71.13670000000005 | RDKit |
