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Home > Other Heterocycles > 100098-21-3
100098-21-3 | 1,7-Diazabicyclo[5.3.1]undecane (9CI)
CAS No: 100098-21-3 Catalog No: AG0000WF MDL No:
Product Description
Catalog Number:
AG0000WF
Chemical Name:
1,7-Diazabicyclo[5.3.1]undecane (9CI)
CAS Number:
100098-21-3
Molecular Formula:
C9H18N2
Molecular Weight:
154.2526
IUPAC Name:
1,7-diazabicyclo[5.3.1]undecane
InChI:
InChI=1S/C9H18N2/c1-2-5-10-7-4-8-11(9-10)6-3-1/h1-9H2
InChI Key:
XEBGLEVANPDBNO-UHFFFAOYSA-N
SMILES:
C1CCN2CCCN(CC1)C2
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.147g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.257g/mol
Monoisotopic Mass:
154.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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