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125251-91-4 | 1,3,6,8-Tetraazatricyclo[4.3.1.13,8]undecane
CAS No: 125251-91-4 Catalog No: AG000NE2 MDL No:
Product Description
Catalog Number:
AG000NE2
Chemical Name:
1,3,6,8-Tetraazatricyclo[4.3.1.13,8]undecane
CAS Number:
125251-91-4
Molecular Formula:
C7H14N4
Molecular Weight:
154.2129
IUPAC Name:
1,3,6,8-tetrazatricyclo[4.3.1.13,8]undecane
InChI:
InChI=1S/C7H14N4/c1-2-9-5-10-3-8(1)4-11(6-9)7-10/h1-7H2
InChI Key:
QEPWWLPEGNQLPC-UHFFFAOYSA-N
SMILES:
C1CN2CN3CN1CN(C2)C3
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.122g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.217g/mol
Monoisotopic Mass:
154.122g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| 1-Heptyl-1,3,6,8-tetraaza-tricyclo-[4.3.1.1]undecan-1-ium iodide. | Acta crystallographica. Section E, Structure reports online 20111001 |
| Synthesis and structural studies of a new class of quaternary ammonium salts, which are derivatives of cage adamanzane type aminal 1, 3, 6, 8-tetraazatricyclo[4.3.1.13,8]undecane (TATU). | Chemistry Central journal 20110101 |
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