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Cas Database |
| Name |
Hexahydro-1,3-dicyclohexyl-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)pyrimidine |
EINECS | N/A |
| CAS No. | 139157-71-4 | Density | 1.3g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C21H33N5O2 | Boiling Point | 567.1°C at 760 mmHg |
| Molecular Weight | 387.525 | Flash Point | 296.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Article Data | 1 |
Hexahydro-1,3-dicyclohexyl-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)pyrimidine Chemical Properties
Product Name: Hexahydro-1,3-dicyclohexyl-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)pyrimidine (CAS NO.139157-71-4)
Molecular Formula: C21H33N5O2
Molecular Weight: 387.59g/mol
Mol File: 139157-71-4.mol
Boiling point: 567.1 °C at 760 mmHg
Flash Point: 296.8 °C
Density: 1.3 g/cm3
Surface Tension: 53.5 dyne/cm
Enthalpy of Vaporization: 85.14 kJ/mol
Vapour Pressure: 7.04E-13 mmHg at 25°C
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of Hexahydro-1,3-dicyclohexyl-5-((1-methyl-5-nitro-1H-imidazol-
2-yl)methylene)pyrimidine (CAS NO.139157-71-4):
IUPAC Name: 1,3-dicyclohexyl-5-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1,3-diazinane
Canonical SMILES: CN1C(=CN=C1C=C2CN(CN(C2)C3CCCCC3)C4CCCCC4)[N+](=O)[O-]
InChI: InChI=1S/C21H33N5O2/c1-23-20(22-13-21(23)26(27)28)12-17-14-24(18-8-4-2-5-9-18)16-25(15-17)19-10-6-3-7-11-19/h12-13,18-19H,2-11,14-16H2,1H3
InChIKey: INXKYGNDBQSYEC-UHFFFAOYSA-N
Hexahydro-1,3-dicyclohexyl-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)pyrimidine Toxicity Data With Reference
| 1. | mic-bac-sat 7700 pmol/plate | EMMUEG Environmental and Molecular Mutagenesis. 19 (1992),167. |
Hexahydro-1,3-dicyclohexyl-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)pyrimidine Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Hexahydro-1,3-dicyclohexyl-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)pyrimidine Specification
Hexahydro-1,3-dicyclohexyl-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)pyrimidine , its CAS NO. is 139157-71-4, the synonyms are 1,3-Dicyclohexylhexah ydro-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)pyrimidine ; BRN 4827013 ; Pyrimidine, hexahydro-1,3-dicyclohexyl-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)- .
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