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2,4-Dichloro-6-Morpholino-1,3,5-Triazine
CAS: 6601-22-5 | C7H8Cl2N4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6601-22-5
Molecular Formula:
C7H8Cl2N4O
Molecular Mass:
235.07 g/mol
Names and Synonyms:
2,4-Dichloro-6-Morpholino-1,3,5-Triazine
1,3,5-Triazine, 2,4-dichloro-6-(4-morpholinyl)-
s-Triazine, 2,4-dichloro-6-morpholino-
2,4-Dichloro-6-(4-morpholinyl)-1,3,5-triazine
2-Morpholino-4,6-dichlorotriazine
2,4-Dichloro-6-morpholino-1,3,5-triazine
2,4-Dichloro-6-morpholino-s-triazine
4,6-Dichloro-2-morpholino-1,3,5-triazine
2-Morpholino-4,6-dichloro-s-triazine
2,6-Dichloro-4-morpholino-1,3,5-triazine
2-(N-Morpholino)-4,6-dichloro-s-triazine
2,4-Dichloro-6-(morpholin-4-yl)-1,3,5-triazine
4-(4,6-Dichloro-1,3,5-triazin-2-yl)morpholine
4-Morpholino-2,6-dichloro-1,3,5-triazine
Identifiers:
SMILES:
Clc1nc(Cl)nc(N2CCOCC2)n1
InChI:
InChI=1S/C7H8Cl2N4O/c8-5-10-6(9)12-7(11-5)13-1-3-14-4-2-13/h1-4H2
Key Properties
Melting Point
157.5-158.5 °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 | 235.07 g/mol | CAS Common Chemistry |
| 235.07399999999996 g/mol | RDKit | |
| 234.007516236 g/mol | RDKit | |
| Canonical SMILES | ClC=1N=C(Cl)N=C(N1)N2CCOCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8Cl2N4O/c8-5-10-6(9)12-7(11-5)13-1-3-14-4-2-13/h1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UQAMDAUJTXFNAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 157.5-158.5 °C | CAS Common Chemistry |
| Name | 2,4-Dichloro-6-morpholino-1,3,5-triazine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 51.14 Ų | RDKit |
| LogP | 1.015 | RDKit |
| Molar Refractivity | 52.87900000000001 | RDKit |
