Back to Search
Molecule
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
Identifiers
CAS Registry Number
3945-69-5
SMILES
COc1nc(OC)nc([N+]2(C)CCOCC2)n1.[Cl-]
InChI Key
BMTZEAOGFDXDAD-UHFFFAOYSA-M
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
Names and Synonyms
- Dmtmm Synonym
- Morpholinium, 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methyl-, chloride (1:1) Synonym
- Morpholinium, 4-(4,6-dimethoxy-s-triazin-2-yl)-4-methyl-, chloride Synonym
- Morpholinium, 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methyl-, chloride Synonym
- 4-(4,6-Dimethoxy-s-triazin-2-yl)-4-methylmorpholinium chloride Synonym
- 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride Synonym
- DMTMM Synonym
- 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 276.72 g/mol | CAS Common Chemistry |
| 276.72399999999993 g/mol | RDKit | |
| 276.724 g/mol | RDKit | |
| 276.721 g/mol | chempirical lib | |
| 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 |
| 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 |
| -3.1399 | RDKit | |
| Molar Refractivity | 61.202000000000034 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 276.098918084 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 276.72 g/mol. Edit any field — others recompute live.
