N-tert-Butylurea - CAS 1118-12-3
Catalog: |
BB002811 |
Product Name: |
N-tert-Butylurea |
CAS: |
1118-12-3 |
Synonyms: |
tert-butylurea |
IUPAC Name: | tert-butylurea |
Description: | N-tert-Butylurea (CAS# 1118-12-3 ) is a useful research chemical. |
Molecular Weight: | 116.16 |
Molecular Formula: | C5H12N2O |
Canonical SMILES: | CC(C)(C)NC(=O)N |
InChI: | InChI=1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8) |
InChI Key: | JLEHSYHLHLHPAL-UHFFFAOYSA-N |
Boiling Point: | 163.7 °C at 760 mmHg |
Melting Point: | -185 °C (dec.) |
Purity: | 95 % |
Density: | 0.962 g/cm3 |
Appearance: | White crystals or crystalline powder |
MDL: | MFCD00025448 |
LogP: | 1.54440 |
Publication Number | Title | Priority Date |
CN-112760002-A | Thick-coating quick-drying high-wear-resistance water-based epoxy coating and preparation method and application thereof | 20201224 |
CN-112500433-A | Preparation method of tedizolid phosphate | 20201223 |
CN-112094196-A | Method for preparing tert-butylamine by direct amination catalysis of isobutene | 20200929 |
CN-112110420-A | Method for catalytically synthesizing hydrogen peroxide by using visible light to drive aminophenol formaldehyde resin | 20200904 |
CN-111875502-A | Method for producing tert-butylamine by direct amination of isobutene | 20200818 |
PMID | Publication Date | Title | Journal |
22159187 | 20120221 | Synthesis of ureas from titanium imido complexes using CO2 as a C-1 reagent at ambient temperature and pressure | Organic & biomolecular chemistry |
21580407 | 20100220 | 3,3'-Di-tert-butyl-1,1'-[1,3-phenyl-enebis(methyl-ene)]diurea | Acta crystallographica. Section E, Structure reports online |
20045971 | 20100101 | Novel synthesis of ureas: application of t-butylureas | Chemical & pharmaceutical bulletin |
18032054 | 20080215 | Potent and selective small molecule NS3 serine protease inhibitors of Hepatitis C virus with dichlorocyclopropylproline as P2 residue | Bioorganic & medicinal chemistry |
18193821 | 20080101 | Challenges in modern drug discovery: a case study of boceprevir, an HCV protease inhibitor for the treatment of hepatitis C virus infection | Accounts of chemical research |
Complexity: | 93.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.094963011 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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