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19102-31-9 | Urea, N-(4-chlorophenyl)-N'-(hexahydro-1H-azepin-1-yl)-
CAS No: 19102-31-9 Catalog No: AG002F07 MDL No:
Product Description
Catalog Number:
AG002F07
Chemical Name:
Urea, N-(4-chlorophenyl)-N'-(hexahydro-1H-azepin-1-yl)-
CAS Number:
19102-31-9
Molecular Formula:
C13H18ClN3O
Molecular Weight:
267.7545
IUPAC Name:
1-(azepan-1-yl)-3-(4-chlorophenyl)urea
InChI:
InChI=1S/C13H18ClN3O/c14-11-5-7-12(8-6-11)15-13(18)16-17-9-3-1-2-4-10-17/h5-8H,1-4,9-10H2,(H2,15,16,18)
InChI Key:
KYLPHFRGUXSCOQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Cl)NN1CCCCCC1
NSC Number:
89371
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.757g/mol
Monoisotopic Mass:
267.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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