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Molecule
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
Identifiers
CAS Registry Number
1009-93-4
SMILES
C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N1
InChI Key
WGGNJZRNHUJNEM-UHFFFAOYSA-N
InChI
InChI=1S/C6H21N3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h7-9H,1-6H3
Names and Synonyms
- Hexamethylcyclotrisilazane Common Name
- Cyclotrisilazane, 2,2,4,4,6,6-hexamethyl- Synonym
- 2,2,4,4,6,6-Hexamethylcyclotrisilazane Synonym
- 1,1,3,3,5,5-Hexamethylcyclotrisilazane Synonym
- HMCTS Synonym
- NSC 139842 Synonym
- 2,2,4,4,6,6-Hexamethyl-1,3,5,2,4,6-triazatrisilinane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.51 g/mol | CAS Common Chemistry |
| 219.513 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 |
| 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 |
| 36.09 Ų | RDKit | |
| LogP | 0.8741999999999996 | RDKit |
| 0.8742 | RDKit | |
| Molar Refractivity | 61.85310000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 219.10432726199997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 219.51 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
