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Home > Nitro Compounds > 14612-28-3
14612-28-3 | 7-nitro-1,3,5-triazatricyclo[3.3.1.1~3,7~]decane
CAS No: 14612-28-3 Catalog No: AG00JHHK MDL No:MFCD00464468
Product Description
Catalog Number:
AG00JHHK
Chemical Name:
7-nitro-1,3,5-triazatricyclo[3.3.1.1~3,7~]decane
CAS Number:
14612-28-3
Molecular Formula:
C7H12N4O2
Molecular Weight:
184.1958
MDL Number:
MFCD00464468
IUPAC Name:
7-nitro-1,3,5-triazatricyclo[3.3.1.13,7]decane
InChI:
InChI=1S/C7H12N4O2/c12-11(13)7-1-8-4-9(2-7)6-10(3-7)5-8/h1-6H2
InChI Key:
LPPLVTOEOMJNPS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C12CN3CN(C2)CN(C1)C3
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.096g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.199g/mol
Monoisotopic Mass:
184.096g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| 1,3,5-Triaza-adamantan-7-amine. | Acta crystallographica. Section E, Structure reports online 20101001 |
| Design, synthesis, characterisation and chemical reactivity of mixed-ligand platinum(II) oxadiazoline complexes with potential cytotoxic properties. | Dalton transactions (Cambridge, England : 2003) 20100907 |
| Ionic recognition by 7-nitro-1,3,5-triaza adamantane: first thermodynamic study. | The journal of physical chemistry. B 20090409 |
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