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100098-23-5 | 1,5-Diazatricyclo[4.2.2.22,5]dodecane (9CI)
CAS No: 100098-23-5 Catalog No: AG0000WD MDL No:
Product Description
Catalog Number:
AG0000WD
Chemical Name:
1,5-Diazatricyclo[4.2.2.22,5]dodecane (9CI)
CAS Number:
100098-23-5
Molecular Formula:
C10H18N2
Molecular Weight:
166.2633
IUPAC Name:
1,5-diazatricyclo[4.2.2.22,5]dodecane
InChI:
InChI=1S/C10H18N2/c1-5-11-6-2-9(1)12-7-3-10(11)4-8-12/h9-10H,1-8H2
InChI Key:
DWJNJMOHBKOYPQ-UHFFFAOYSA-N
SMILES:
C1CC2CCN1C1CCN2CC1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.147g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.268g/mol
Monoisotopic Mass:
166.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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