1,3-Diethyl-1,3-diphenylurea - CAS 85-98-3
Catalog: |
BB037790 |
Product Name: |
1,3-Diethyl-1,3-diphenylurea |
CAS: |
85-98-3 |
Synonyms: |
1,3-diethyl-1,3-diphenylurea |
IUPAC Name: | 1,3-diethyl-1,3-diphenylurea |
Description: | 1,3-Diethyl-1,3-diphenylurea (CAS# 85-98-3) is a useful research chemical. |
Molecular Weight: | 268.35 |
Molecular Formula: | C17H20N2O |
Canonical SMILES: | CCN(C1=CC=CC=C1)C(=O)N(CC)C2=CC=CC=C2 |
InChI: | InChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3 |
InChI Key: | PZIMIYVOZBTARW-UHFFFAOYSA-N |
Boiling Point: | 325-330 °C |
Melting Point: | 73-75 °C |
Flash Point: | 302 °F |
Density: | 9.3 g/cm3 (vs air) |
Solubility: | less than 1 mg/mL at 70.7 °F |
Appearance: | White flakes or white crystalline solid. peppery odor. |
LogP: | 4.15940 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22047751 | 20120410 | Screening of gunshot residues using desorption electrospray ionisation-mass spectrometry (DESI-MS) | Forensic science international |
21967622 | 20111115 | Noninvasive detection of concealed explosives: depth profiling through opaque plastics by time-resolved Raman spectroscopy | Analytical chemistry |
21109373 | 20110520 | Analysis of the headspace composition of smokeless powders using GC-MS, GC-μECD and ion mobility spectrometry | Forensic science international |
21754111 | 20110401 | 1,3-Diethyl-1,3-diphenyl-urea | Acta crystallographica. Section E, Structure reports online |
20933233 | 20101112 | The evaluation of solid phase micro-extraction fibre types for the analysis of organic components in unburned propellant powders | Journal of chromatography. A |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.157563266 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.157563266 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 23.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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