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53101-94-3 | Urea, N-phenyl-N'-(2-pyridinylmethyl)-
CAS No: 53101-94-3 Catalog No: AG00DL7J MDL No:MFCD01222524
Product Description
Catalog Number:
AG00DL7J
Chemical Name:
Urea, N-phenyl-N'-(2-pyridinylmethyl)-
CAS Number:
53101-94-3
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
MDL Number:
MFCD01222524
IUPAC Name:
1-phenyl-3-(pyridin-2-ylmethyl)urea
InChI:
InChI=1S/C13H13N3O/c17-13(16-11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12/h1-9H,10H2,(H2,15,16,17)
InChI Key:
VPUGNBWVJHYAQX-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)NCc1ccccn1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.267g/mol
Monoisotopic Mass:
227.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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