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Home > Nitro Compounds > 94467-76-2
94467-76-2 | Ethanol, 2,2',2''-[(2,4,6-trinitro-1,3,5-benzenetriyl)triimino]tris-
CAS No: 94467-76-2 Catalog No: AG00H7HP MDL No:
Product Description
Catalog Number:
AG00H7HP
Chemical Name:
Ethanol, 2,2',2''-[(2,4,6-trinitro-1,3,5-benzenetriyl)triimino]tris-
CAS Number:
94467-76-2
Molecular Formula:
C12H18N6O9
Molecular Weight:
390.3061
IUPAC Name:
2-[3,5-bis(2-hydroxyethylamino)-2,4,6-trinitroanilino]ethanol
InChI:
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([N+](=O)[O-])c(NCCO)c(c(c1[N+](=O)[O-])NCCO)[N+](=O)[O-]
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.114g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
390.309g/mol
Monoisotopic Mass:
390.114g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
234A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Microwave assisted facile synthesis of {1/1,3-bis/1,3,5-tris-[(2-nitroxyethylnitramino)-2,4,6-trinitrobenzene]} using bismuth nitrate pentahydrate as an eco-friendly nitrating agent. | Journal of hazardous materials 20080401 |
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