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Hexamethylcyclotrisilazane
CAS: 1009-93-4 | C6H21N3Si3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1009-93-4
Molecular Formula:
C6H21N3Si3
Molecular Mass:
219.51 g/mol
Names and Synonyms:
Hexamethylcyclotrisilazane
Cyclotrisilazane, 2,2,4,4,6,6-hexamethyl-
2,2,4,4,6,6-Hexamethylcyclotrisilazane
1,1,3,3,5,5-Hexamethylcyclotrisilazane
HMCTS
NSC 139842
2,2,4,4,6,6-Hexamethyl-1,3,5,2,4,6-triazatrisilinane
Identifiers:
SMILES:
C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N1
InChI:
InChI=1S/C6H21N3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h7-9H,1-6H3
Key Properties
Boiling Point
188 °C
CAS Common Chemistry
Melting Point
-10 °C
CAS Common Chemistry
Density
0.92 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 | 219.51 g/mol | CAS Common Chemistry |
| 219.513 g/mol | RDKit | |
| 219.10432726199997 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.921 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexamethylcyclotrisilazane | CAS Common Chemistry |
| Boiling Point | 188 °C | CAS Common Chemistry |
| Canonical SMILES | N1[Si](N[Si](N[Si]1(C)C)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H21N3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h7-9H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WGGNJZRNHUJNEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -10 °C | CAS Common Chemistry |
| Name | 1,1,3,3,5,5-Hexamethylcyclotrisilazane | CAS Common Chemistry |
| Hexamethylcyclotrisilazane | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.089999999999996 Ų | RDKit |
| LogP | 0.8741999999999996 | RDKit |
| Molar Refractivity | 61.85310000000003 | RDKit |
