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(3-Isocyanatopropyl)Triethoxysilane

CAS: 24801-88-5 | C10H21NO4Si

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 24801-88-5
Molecular Formula: C10H21NO4Si
Molecular Weight: 247.36699999999993 g/mol

Names and Synonyms:

(3-Isocyanatopropyl)Triethoxysilane
Silane, triethoxy(3-isocyanatopropyl)-
Isocyanic acid, 3-(triethoxysilyl)propyl ester
Triethoxy(3-isocyanatopropyl)silane
(γ-Isocyanatopropyl)triethoxysilane
3-(Triethoxysilyl)propyl isocyanate
Y 9030
γ-(Triethoxysilyl)propyl isocyanate
I 7840
YH 9030
KBE 9007
1-(Triethoxysilyl)-3-isocyanatopropane
(3-Isocyanatopropyl)triethoxysilane
Triethoxy(γ-isocyanatopropyl)silane
Silquest A 1310
Silane A 1310
A 1310
KBM 9003
Dynasylan A 1310
UCTI 7840KG
Silquest A-Link 25
UCT 7840KG
NUC-A 1310
KBM 9007
A-Link 25
3-(Isocyanopropyl)triethoxysilane
LS 3415
Isocyanatopropyltriethoxysilane
Triethoxysilylpropyl isocyanate
3-Isocyanatopropyltriethoxysilane
SII 6455
IPTEOS
DB 907
B 0062
KH 907
CG 907
CG 907 (coupling agent)
SII 6455.0
KBE 9007A
KBE 9007N
USi-SL 25
T 13
Hongtu T 13
T 13 (silane)
IC 302

Identifiers:

SMILES:
CCO[Si](CCCN=C=O)(OCC)OCC
InChI:
InChI=1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 247.36699999999993 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 247.123984682 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 16 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 5 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 10 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 57.120000000000005 Ų RDKit

Physical Properties

Property Value Source
LogP 1.7607 RDKit
molecular_mass 247.37 g/mol Legacy Database
density 0.99 g/cm³ Legacy Database
cas-boiling-point 130 °C @ Press: 20 Torr None Legacy Database
cas-canonical-smile O=C=NCCC[Si](OCC)(OCC)OCC None Legacy Database
cas-density 0.990 g/cm3 None Legacy Database
cas-inchi InChI=1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3 None Legacy Database
cas-inchi-key InChIKey=FRGPKMWIYVTFIQ-UHFFFAOYSA-N None Legacy Database
cas-name (3-Isocyanatopropyl)triethoxysilane None Legacy Database

Molar

Property Value Source
Molar Refractivity 63.04450000000005 RDKit

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