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Molecule
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 Mass
- 129.21 g/mol
Identifiers
CAS Registry Number
108-74-7
SMILES
CN1CN(C)CN(C)C1
InChI Key
DPMZXMBOYHBELT-UHFFFAOYSA-N
InChI
InChI=1S/C6H15N3/c1-7-4-8(2)6-9(3)5-7/h4-6H2,1-3H3
Names and Synonyms
- 1,3,5-Trimethyl-1,3,5-Triazinane Systematic Name
- 1,3,5-Triazine, hexahydro-1,3,5-trimethyl- Synonym
- s-Triazine, hexahydro-1,3,5-trimethyl- Synonym
- Hexahydro-1,3,5-trimethyl-1,3,5-triazine Synonym
- 1,3,5-Trimethylhexahydro-s-triazine Synonym
- 1,3,5-Trimethylhexahydro-1,3,5-triazine Synonym
- Hexahydro-1,3,5-trimethyl-s-triazine Synonym
- F 7771 Synonym
- 1,3,5-Trimethyltrimethylenetriamine Synonym
- N,N′,N′′-Trimethyl-1,3,5-triazacyclohexane Synonym
- NSC 166326 Synonym
- 1,3,5-Trimethyl-1,3,5-triazacyclohexane Synonym
- 1,3,5-Trimethylhexahydrotriazine Synonym
- 1,3,5-Trimethyl-1,3,5-triazinane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.21 g/mol | CAS Common Chemistry |
| 129.207 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,3,5-Trimethyl-1,3,5-triazinane | CAS Common Chemistry |
| Boiling Point | 155-160 °C | CAS Common Chemistry |
| Canonical SMILES | N1(C)CN(C)CN(C)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H15N3/c1-7-4-8(2)6-9(3)5-7/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DPMZXMBOYHBELT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,3,5-Trimethylhexahydro-1,3,5-triazine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.72 Ų | RDKit |
| 9.03 Ų | chempirical lib | |
| LogP | -0.33210000000000006 | RDKit |
| -0.3321 | RDKit | |
| Molar Refractivity | 37.89 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 129.12659748 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
External Resources
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MW = 129.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15N3.
