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205746-97-0 | 1,3,5-Triazine-2,4,6-triamine, N2,N4-dioctadecyl-
CAS No: 205746-97-0 Catalog No: AG002AC4 MDL No:
Product Description
Catalog Number:
AG002AC4
Chemical Name:
1,3,5-Triazine-2,4,6-triamine, N2,N4-dioctadecyl-
CAS Number:
205746-97-0
Molecular Formula:
C39H78N6
Molecular Weight:
631.0768
IUPAC Name:
2-N,4-N-dioctadecyl-1,3,5-triazine-2,4,6-triamine
InChI:
InChI=1S/C39H78N6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-38-43-37(40)44-39(45-38)42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H4,40,41,42,43,44,45)
InChI Key:
FMTMRUJBZLYFGZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNc1nc(NCCCCCCCCCCCCCCCCCC)nc(n1)N
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
630.629g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
631.095g/mol
Monoisotopic Mass:
630.629g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.9
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