Back to Search
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
Names and Synonyms:
1,3,5-Trimethyl-1,3,5-Triazinane
1,3,5-Triazine, hexahydro-1,3,5-trimethyl-
s-Triazine, hexahydro-1,3,5-trimethyl-
Hexahydro-1,3,5-trimethyl-1,3,5-triazine
1,3,5-Trimethylhexahydro-s-triazine
1,3,5-Trimethylhexahydro-1,3,5-triazine
Hexahydro-1,3,5-trimethyl-s-triazine
F 7771
1,3,5-Trimethyltrimethylenetriamine
N,N′,N′′-Trimethyl-1,3,5-triazacyclohexane
NSC 166326
1,3,5-Trimethyl-1,3,5-triazacyclohexane
1,3,5-Trimethylhexahydrotriazine
1,3,5-Trimethyl-1,3,5-triazinane
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
Key Properties
Boiling Point
155-160 °C
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 | 129.21 g/mol | CAS Common Chemistry |
| 129.207 g/mol | RDKit | |
| 129.12659748 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 |
| 1,3,5-Trimethyl-1,3,5-triazinane | 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 |
| LogP | -0.33210000000000006 | RDKit |
| Molar Refractivity | 37.89 | RDKit |
