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1,3,5-Trimethyl-1,3,5-Triazinane
CAS: 108-74-7 | C6H15N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-74-7
Molecular Formula:
C6H15N3
Molecular Weight:
129.207 g/mol
Names and Synonyms:
1,3,5-Trimethyl-1,3,5-Triazinane
1,3,5-Trimethyl-1,3,5-triazinane
1,3,5-Trimethylhexahydrotriazine
1,3,5-Trimethyl-1,3,5-triazacyclohexane
NSC 166326
N,N′,N′′-Trimethyl-1,3,5-triazacyclohexane
1,3,5-Trimethyltrimethylenetriamine
F 7771
Hexahydro-1,3,5-trimethyl-s-triazine
1,3,5-Trimethylhexahydro-1,3,5-triazine
1,3,5-Trimethylhexahydro-s-triazine
Hexahydro-1,3,5-trimethyl-1,3,5-triazine
s-Triazine, hexahydro-1,3,5-trimethyl-
1,3,5-Triazine, hexahydro-1,3,5-trimethyl-
Identifiers:
SMILES:
CN1CN(C)CN(C)C1
InChI:
InChI=1S/C6H15N3/c1-7-4-8(2)6-9(3)5-7/h4-6H2,1-3H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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120
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| 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.
All Properties
Comprehensive physical and chemical properties
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 129.12659748 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.72 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.33210000000000006 | RDKit |
| molecular_mass | 129.21 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1,3,5-Trimethyl-1,3,5-triazinane None | Legacy Database |
| cas-boiling-point | 155-160 °C None | Legacy Database |
| cas-canonical-smile | N1(C)CN(C)CN(C)C1 None | Legacy Database |
| cas-inchi | InChI=1S/C6H15N3/c1-7-4-8(2)6-9(3)5-7/h4-6H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=DPMZXMBOYHBELT-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1,3,5-Trimethylhexahydro-1,3,5-triazine None | Legacy Database |
| wikipedia-name | 1,3,5-Trimethyl-1,3,5-triazinane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.89 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 129.207 g/mol | RDKit |
