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88880-90-4 | 2,4-Diazabicyclo[3.3.1]non-2-ene, 9-methyl-3-octadecyl-
CAS No: 88880-90-4 Catalog No: AG00497V MDL No:
Product Description
Catalog Number:
AG00497V
Chemical Name:
2,4-Diazabicyclo[3.3.1]non-2-ene, 9-methyl-3-octadecyl-
CAS Number:
88880-90-4
Molecular Formula:
C26H50N2
Molecular Weight:
390.6886
IUPAC Name:
9-methyl-3-octadecyl-2,4-diazabicyclo[3.3.1]non-2-ene
InChI:
InChI=1S/C26H50N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-27-24-20-19-21-25(28-26)23(24)2/h23-25H,3-22H2,1-2H3,(H,27,28)
InChI Key:
XVMFTWLHQWWLGJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCC1=NC2C(C(N1)CCC2)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.397g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.7g/mol
Monoisotopic Mass:
390.397g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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