Cas no 94467-76-2 (Ethanol, 2,2',2''-[(2,4,6-trinitro-1,3,5-benzenetriyl)triimino]tris-)
![Ethanol, 2,2',2''-[(2,4,6-trinitro-1,3,5-benzenetriyl)triimino]tris- structure](https://ossimg.kuujia.com/scimg/94500/94467-76-2x500.png)
94467-76-2 structure
Product Name:Ethanol, 2,2',2''-[(2,4,6-trinitro-1,3,5-benzenetriyl)triimino]tris-
CAS No:94467-76-2
MF:C12H18N6O9
MW:390.306122303009
CID:752274
PubChem ID:3089546
Update Time:2025-04-19
Ethanol, 2,2',2''-[(2,4,6-trinitro-1,3,5-benzenetriyl)triimino]tris- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol, 2,2',2''-[(2,4,6-trinitro-1,3,5-benzenetriyl)triimino]tris-
- 2-[3,5-bis(2-hydroxyethylamino)-2,4,6-trinitroanilino]ethanol
- DTXSID40389023
- 2,4,6-trinitro-1,3,5-tris(2-hydroxyethylamino)benzene
- 1,3,5-tris(2-hydroxyethylamino)-2,4,6-trinitrobenzene
- AKOS000416918
- SCHEMBL9638790
- 94467-76-2
- BNULYKZFUFELNU-UHFFFAOYSA-N
- SR-01000310564-1
- SR-01000310564
-
- Inchi： 1S/C12H18N6O9/c19-4-1-13-7-10(16(22)23)8(14-2-5-20)12(18(26)27)9(15-3-6-21)11(7)17(24)25/h13-15,19-21H,1-6H2
- InChI Key： BNULYKZFUFELNU-UHFFFAOYSA-N
- SMILES： OCCNC1C(=C(C(=C(C=1[N+](=O)[O-])NCCO)[N+](=O)[O-])NCCO)[N+](=O)[O-]
Computed Properties
- Exact Mass: 390.114
- Monoisotopic Mass: 390.114
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 27
- Rotatable Bond Count: 9
- Complexity: 418
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 234?2
Ethanol, 2,2',2''-[(2,4,6-trinitro-1,3,5-benzenetriyl)triimino]tris- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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