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Home > Other Heterocycles > 147713-89-1
147713-89-1 | 1,7-Diazabicyclo[5.5.5]heptadecane (9CI)
CAS No: 147713-89-1 Catalog No: AG001F4B MDL No:
Product Description
Catalog Number:
AG001F4B
Chemical Name:
1,7-Diazabicyclo[5.5.5]heptadecane (9CI)
CAS Number:
147713-89-1
Molecular Formula:
C15H30N2
Molecular Weight:
238.4121
IUPAC Name:
1,7-diazabicyclo[5.5.5]heptadecane
InChI:
InChI=1S/C15H30N2/c1-4-10-16-12-6-2-7-13-17(11-5-1)15-9-3-8-14-16/h1-15H2
InChI Key:
WYPPTVNVWJATNP-UHFFFAOYSA-N
SMILES:
C1CCN2CCCCCN(CC1)CCCCC2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.241g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.419g/mol
Monoisotopic Mass:
238.241g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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