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28464-26-8 | 1-Propanamine, N-(2,2-dinitropropyl)-2,2-dinitro-N-nitroso-
CAS No: 28464-26-8 Catalog No: AG002VDE MDL No:
Product Description
Catalog Number:
AG002VDE
Chemical Name:
1-Propanamine, N-(2,2-dinitropropyl)-2,2-dinitro-N-nitroso-
CAS Number:
28464-26-8
Molecular Formula:
C6H10N6O9
Molecular Weight:
310.1784
IUPAC Name:
N,N-bis(2,2-dinitropropyl)nitrous amide
InChI:
InChI=1S/C6H10N6O9/c1-5(9(14)15,10(16)17)3-8(7-13)4-6(2,11(18)19)12(20)21/h3-4H2,1-2H3
InChI Key:
PQLZMPIPNSKOKH-UHFFFAOYSA-N
SMILES:
O=NN(CC([N+](=O)[O-])([N+](=O)[O-])C)CC([N+](=O)[O-])([N+](=O)[O-])C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.179g/mol
Monoisotopic Mass:
310.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
216A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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