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Dmtmm
CAS: 3945-69-5 | C10H17ClN4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3945-69-5
Molecular Formula:
C10H17ClN4O3
Molecular Mass:
276.72 g/mol
Names and Synonyms:
Dmtmm
Morpholinium, 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methyl-, chloride (1:1)
Morpholinium, 4-(4,6-dimethoxy-s-triazin-2-yl)-4-methyl-, chloride
Morpholinium, 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methyl-, chloride
4-(4,6-Dimethoxy-s-triazin-2-yl)-4-methylmorpholinium chloride
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
DMTMM
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium chloride
Identifiers:
SMILES:
COc1nc(OC)nc([N+]2(C)CCOCC2)n1.[Cl-]
InChI:
InChI=1S/C10H17N4O3.ClH/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3;/h4-7H2,1-3H3;1H/q+1;/p-1
Key Properties
Melting Point
120-122 °C (decomp)
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 | 276.72 g/mol | CAS Common Chemistry |
| 276.72399999999993 g/mol | RDKit | |
| 276.098918084 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/DMTMM | CAS Common Chemistry |
| Canonical SMILES | [Cl-].N=1C(=NC(=NC1OC)[N+]2(C)CCOCC2)OC | CAS Common Chemistry |
| InChI | InChI=1S/C10H17N4O3.ClH/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3;/h4-7H2,1-3H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=BMTZEAOGFDXDAD-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 120-122 °C (decomp) | CAS Common Chemistry |
| Name | 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride | CAS Common Chemistry |
| DMTMM | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.36 Ų | RDKit |
| LogP | -3.1398999999999964 | RDKit |
| Molar Refractivity | 61.202000000000034 | RDKit |
