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Home > Nitro Compounds > 189999-80-2
189999-80-2 | 1-Propanol, 3,3',3''-[(2,4,6-trinitro-1,3,5-benzenetriyl)triimino]tris- (9CI)
CAS No: 189999-80-2 Catalog No: AG002E6Y MDL No:
Product Description
Catalog Number:
AG002E6Y
Chemical Name:
1-Propanol, 3,3',3''-[(2,4,6-trinitro-1,3,5-benzenetriyl)triimino]tris- (9CI)
CAS Number:
189999-80-2
Molecular Formula:
C15H24N6O9
Molecular Weight:
432.3859
IUPAC Name:
3-[3,5-bis(3-hydroxypropylamino)-2,4,6-trinitroanilino]propan-1-ol
InChI:
InChI=1S/C15H24N6O9/c22-7-1-4-16-10-13(19(25)26)11(17-5-2-8-23)15(21(29)30)12(14(10)20(27)28)18-6-3-9-24/h16-18,22-24H,1-9H2
InChI Key:
HUJJMAZWSZWFCT-UHFFFAOYSA-N
SMILES:
OCCCNc1c([N+](=O)[O-])c(NCCCO)c(c(c1[N+](=O)[O-])NCCCO)[N+](=O)[O-]
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.16g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
432.39g/mol
Monoisotopic Mass:
432.16g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
234A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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