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116368-51-5 | Pyrimidine, 1,3-dihexadecylhexahydro-
CAS No: 116368-51-5 Catalog No: AG000CAT MDL No:
Product Description
Catalog Number:
AG000CAT
Chemical Name:
Pyrimidine, 1,3-dihexadecylhexahydro-
CAS Number:
116368-51-5
Molecular Formula:
C36H74N2
Molecular Weight:
534.9862
IUPAC Name:
1,3-dihexadecyl-1,3-diazinane
InChI:
InChI=1S/C36H74N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-37-34-31-35-38(36-37)33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChI Key:
LBZGYUXMRJHOIB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCN1CCCN(C1)CCCCCCCCCCCCCCCC
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.585g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
535.002g/mol
Monoisotopic Mass:
534.585g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16
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