Cas no 10553-85-2 (1,4,7,9b-Tetraazaphenalene,dodecahydro-)
10553-85-2 structure
Product Name:1,4,7,9b-Tetraazaphenalene,dodecahydro-
1,4,7,9b-Tetraazaphenalene,dodecahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7,9b-Tetraazaphenalene,dodecahydro-
- DODECAHYDRO-1 4 7 9B-TETRAAZOPHENALENE
- Dodecahydro-1,4,7,9b-tetraazaphenalene
- Dodecahydro-1.4.7.9b-tetraazaphenalene
- 7,9b-tetraazaphenalene,dodecahydro-4
- Nsc 81462
- Brn 0607072
- Dodecahydro-1,4,7,9B-tetrazaphenalin
- Dodecahydro-1,4,7, 9b-tetrazaphenalin
- DTXSID00909584
- 1,7,9B-Tetraazaphenalene, dodecahydro-
- 1,4,7,9B-Tetraazaphenalene, dodecahydro-
- DODECAHYDRO-1,4,7,9B-TETRAAZOPHENALENE
- FT-0636736
- SCHEMBL3458049
- MLS000737090
- NSC81462
- WLN: T666 1A M BNM GM KMTJ
- 2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane
- AKOS006281490
- NCGC00246882-01
- SMR000528365
- CHEMBL1409645
- Dodecahydro-1,7,9b-tetrazaphenalin
- 10553-85-2
- NSC-81462
- HMS2885J15
- Dodecahydro-1,7,9b-tetraazaphenalene
- CCG-40462
-
- Inchi： 1S/C9H18N4/c1-4-10-8-3-6-12-9-2-5-11-7(1)13(8)9/h7-12H,1-6H2
- InChI Key： ZNJURNUHQCGRLX-UHFFFAOYSA-N
- SMILES： N12C3CCNC1CCNC2CCN3
Computed Properties
- Exact Mass: 182.15334
- Monoisotopic Mass: 182.153
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 163
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 39.3A^2
- XLogP3: -0.1
Experimental Properties
- Density: 1.19
- Melting Point: 118-120 °C(Solv: carbon tetrachloride (56-23-5))
- Boiling Point: 316.3°Cat760mmHg
- Flash Point: 173.5°C
- Refractive Index: 1.6
- PSA: 39.33
- LogP: 0.17090
1,4,7,9b-Tetraazaphenalene,dodecahydro- Related Literature
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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