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TERT-BUTYLUREA

CAS No.:
1118-12-3
Catalog Number:
AG003UM2
Molecular Formula:
C5H12N2O
Molecular Weight:
116.1616
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$55
- +
1g
1 week
United States
$64
- +
Product Description
Catalog Number:
AG003UM2
Chemical Name:
TERT-BUTYLUREA
CAS Number:
1118-12-3
Molecular Formula:
C5H12N2O
Molecular Weight:
116.1616
MDL Number:
MFCD00025448
IUPAC Name:
tert-butylurea
InChI:
InChI=1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)
InChI Key:
JLEHSYHLHLHPAL-UHFFFAOYSA-N
SMILES:
NC(=O)NC(C)(C)C
EC Number:
214-257-3
UNII:
T81TP489AF
NSC Number:
4604
Properties
Complexity:
93.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.095g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
116.164g/mol
Monoisotopic Mass:
116.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Synthesis of ureas from titanium imido complexes using CO2 as a C-1 reagent at ambient temperature and pressure. Organic & biomolecular chemistry 20120221
3,3'-Di-tert-butyl-1,1'-[1,3-phenyl-enebis(methyl-ene)]diurea. Acta crystallographica. Section E, Structure reports online 20100301
Novel synthesis of ureas: application of t-butylureas. Chemical & pharmaceutical bulletin 20100101
Potent and selective small molecule NS3 serine protease inhibitors of Hepatitis C virus with dichlorocyclopropylproline as P2 residue. Bioorganic & medicinal chemistry 20080215
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 20080101
Conformational analysis and rotational barriers of alkyl- and phenyl-substituted urea derivatives. The journal of physical chemistry. A 20050210
Benzimidazole derivatives as novel nonpeptide luteinizing hormone-releasing hormone (LHRH) antagonists. Part 2: Benzimidazole-5-sulfonamides. Bioorganic & medicinal chemistry letters 20050201
[Isolation and identification of alkaloids from Armeniaca mume Sieb]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20041201
Discovery of novel benzothiazolesulfonamides as potent inhibitors of HIV-1 protease. Bioorganic & medicinal chemistry 20031103
Properties