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131519-56-7

131519-56-7 | 1-cyclohexyl-3-[(pyridin-4-yl)methyl]urea

CAS No: 131519-56-7 Catalog No: AG00IVE3 MDL No:MFCD01822768

Product Description

Catalog Number:
AG00IVE3
Chemical Name:
1-cyclohexyl-3-[(pyridin-4-yl)methyl]urea
CAS Number:
131519-56-7
Molecular Formula:
C13H19N3O
Molecular Weight:
233.3095
MDL Number:
MFCD01822768
IUPAC Name:
1-cyclohexyl-3-(pyridin-4-ylmethyl)urea
InChI:
InChI=1S/C13H19N3O/c17-13(16-12-4-2-1-3-5-12)15-10-11-6-8-14-9-7-11/h6-9,12H,1-5,10H2,(H2,15,16,17)
InChI Key:
GRFSYZCLGWVEOX-UHFFFAOYSA-N
SMILES:
O=C(NC1CCCCC1)NCc1ccncc1

Properties

Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.153g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.315g/mol
Monoisotopic Mass:
233.153g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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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