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Molecule
2,4-Dichloro-6-Morpholino-1,3,5-Triazine
CAS: 6601-22-5 · C7H8Cl2N4O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6601-22-5
- Molecular Formula
- C7H8Cl2N4O
- Molecular Mass
- 235.07 g/mol
Identifiers
CAS Registry Number
6601-22-5
SMILES
Clc1nc(Cl)nc(N2CCOCC2)n1
InChI Key
UQAMDAUJTXFNAD-UHFFFAOYSA-N
InChI
InChI=1S/C7H8Cl2N4O/c8-5-10-6(9)12-7(11-5)13-1-3-14-4-2-13/h1-4H2
Names and Synonyms
- 2,4-Dichloro-6-Morpholino-1,3,5-Triazine Synonym
- 1,3,5-Triazine, 2,4-dichloro-6-(4-morpholinyl)- Synonym
- s-Triazine, 2,4-dichloro-6-morpholino- Synonym
- 2,4-Dichloro-6-(4-morpholinyl)-1,3,5-triazine Synonym
- 2-Morpholino-4,6-dichlorotriazine Synonym
- 2,4-Dichloro-6-morpholino-1,3,5-triazine Synonym
- 2,4-Dichloro-6-morpholino-s-triazine Synonym
- 4,6-Dichloro-2-morpholino-1,3,5-triazine Synonym
- 2-Morpholino-4,6-dichloro-s-triazine Synonym
- 2,6-Dichloro-4-morpholino-1,3,5-triazine Synonym
- 2-(N-Morpholino)-4,6-dichloro-s-triazine Synonym
- 2,4-Dichloro-6-(morpholin-4-yl)-1,3,5-triazine Synonym
- 4-(4,6-Dichloro-1,3,5-triazin-2-yl)morpholine Synonym
- 4-Morpholino-2,6-dichloro-1,3,5-triazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 235.07 g/mol | CAS Common Chemistry |
| 235.07399999999996 g/mol | RDKit | |
| 235.074 g/mol | RDKit | |
| 235.068 g/mol | chempirical lib | |
| 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 |
| 49.32 Ų | chempirical lib | |
| LogP | 1.015 | RDKit |
| 0.99 | chempirical lib | |
| Molar Refractivity | 52.87900000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 234.007516236 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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.
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MW = 235.07 g/mol. Edit any field — others recompute live.
