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139958-77-3 | Urea, N-methyl-N'-(9,11,13,19-tetramethyloctacosyl)- (9CI)
CAS No: 139958-77-3 Catalog No: AG001BVK MDL No:
Product Description
Catalog Number:
AG001BVK
Chemical Name:
Urea, N-methyl-N'-(9,11,13,19-tetramethyloctacosyl)- (9CI)
CAS Number:
139958-77-3
Molecular Formula:
C34H70N2O
Molecular Weight:
522.9324
IUPAC Name:
1-methyl-3-(9,11,13,19-tetramethyloctacosyl)urea
InChI:
InChI=1S/C34H70N2O/c1-7-8-9-10-11-14-18-23-30(2)24-20-17-21-26-32(4)29-33(5)28-31(3)25-19-15-12-13-16-22-27-36-34(37)35-6/h30-33H,7-29H2,1-6H3,(H2,35,36,37)
InChI Key:
ISKIHDZYWOSEPK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(CCCCCC(CC(CC(CCCCCCCCNC(=O)NC)C)C)C)C
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
522.549g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
522.947g/mol
Monoisotopic Mass:
522.549g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
14.6
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