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592-31-4 | N-Butylurea
CAS No: 592-31-4 Catalog No: AG0035DB MDL No:MFCD00007956
Product Description
Catalog Number:
AG0035DB
Chemical Name:
N-Butylurea
CAS Number:
592-31-4
Molecular Formula:
C5H12N2O
Molecular Weight:
116.1616
MDL Number:
MFCD00007956
IUPAC Name:
butylurea
InChI:
InChI=1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChI Key:
CNWSQCLBDWYLAN-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)N
EC Number:
209-748-4
UNII:
9CPL5NR15K
NSC Number:
2597
Properties
Complexity:
72.8
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:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Denaturation mechanism of BSA by urea derivatives: evidence for hydrogen-bonding mode from fluorescence tools. | Journal of fluorescence 20110701 |
| 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 |
| Synthesis and biological evaluation of homoserine lactone derived ureas as antagonists of bacterial quorum sensing. | Bioorganic & medicinal chemistry 20060715 |
| Specific modification of peptide-bound citrulline residues. | Analytical biochemistry 20060501 |
| A quadruply hydrogen bonded heterocomplex displaying high-fidelity recognition. | Journal of the American Chemical Society 20051228 |
| A highly stable quadruply hydrogen-bonded heterocomplex useful for supramolecular polymer blends. | Journal of the American Chemical Society 20050511 |
| Preclinical studies of alkylureas as anti-HIV-1 contraceptive. | Current pharmaceutical design 20050101 |
| Chalcogens as terminal ligands to iron: synthesis and structure of complexes with Fe(III)-S and Fe(III)-Se motifs. | Journal of the American Chemical Society 20040602 |
| Discovery of novel benzothiazolesulfonamides as potent inhibitors of HIV-1 protease. | Bioorganic & medicinal chemistry 20031103 |
| Inhibition of HIV-1 infection by alkylureas. | AIDS (London, England) 19911201 |
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