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1194-06-5 | Urea, N-cyclopentyl-
CAS No: 1194-06-5 Catalog No: AG000IOZ MDL No:MFCD00019276
Product Description
Catalog Number:
AG000IOZ
Chemical Name:
Urea, N-cyclopentyl-
CAS Number:
1194-06-5
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
MDL Number:
MFCD00019276
IUPAC Name:
cyclopentylurea
InChI:
InChI=1S/C6H12N2O/c7-6(9)8-5-3-1-2-4-5/h5H,1-4H2,(H3,7,8,9)
InChI Key:
CBEYJGNJOCTQGW-UHFFFAOYSA-N
SMILES:
NC(=O)NC1CCCC1
NSC Number:
163150
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.175g/mol
Monoisotopic Mass:
128.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Diphenylpyridylethanamine (DPPE) derivatives as cholesteryl ester transfer protein (CETP) inhibitors. | Journal of medicinal chemistry 20120712 |
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