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178699-05-3

178699-05-3 | Urea, N,N''-(methylenedi-4,1-phenylene)bis[N'-(9Z)-9-octadecen-1-yl-

CAS No: 178699-05-3 Catalog No: AG00268Q MDL No:

Product Description

Catalog Number:
AG00268Q
Chemical Name:
Urea, N,N''-(methylenedi-4,1-phenylene)bis[N'-(9Z)-9-octadecen-1-yl-
CAS Number:
178699-05-3
Molecular Formula:
C51H84N4O2
Molecular Weight:
785.2383
IUPAC Name:
1-octadec-9-enyl-3-[4-[[4-(octadec-9-enylcarbamoylamino)phenyl]methyl]phenyl]urea
InChI:
InChI=1S/C51H84N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-52-50(56)54-48-39-35-46(36-40-48)45-47-37-41-49(42-38-47)55-51(57)53-44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35-42H,3-16,21-34,43-45H2,1-2H3,(H2,52,54,56)(H2,53,55,57)
InChI Key:
XCZKQIFRHXNJKQ-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCCNC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)NCCCCCCCC/C=C\CCCCCCCC

Properties

Complexity:
890  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
784.659g/mol
Formal Charge:
0
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
785.259g/mol
Monoisotopic Mass:
784.659g/mol
Rotatable Bond Count:
36  
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
17.7  

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