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Home > Other Heterocycles > 1005280-95-4
1005280-95-4 | (1-{bicyclo[2.2.1]heptan-2-yl}ethyl)urea
CAS No: 1005280-95-4 Catalog No: AG019JRB MDL No:
Product Description
Catalog Number:
AG019JRB
Chemical Name:
(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)urea
CAS Number:
1005280-95-4
Molecular Formula:
C10H18N2O
Molecular Weight:
182.2627
IUPAC Name:
1-(2-bicyclo[2.2.1]heptanyl)ethylurea
InChI:
InChI=1S/C10H18N2O/c1-6(12-10(11)13)9-5-7-2-3-8(9)4-7/h6-9H,2-5H2,1H3,(H3,11,12,13)
InChI Key:
KVIBHGFMYDAGJG-UHFFFAOYSA-N
SMILES:
NC(=O)NC(C1CC2CC1CC2)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.142g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.267g/mol
Monoisotopic Mass:
182.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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