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13126-25-5 | Methanediamine, N-methyl-N'-[(methylnitroamino)methyl]-N,N'-dinitro-
CAS No: 13126-25-5 Catalog No: AG000VT2 MDL No:
Product Description
Catalog Number:
AG000VT2
Chemical Name:
Methanediamine, N-methyl-N'-[(methylnitroamino)methyl]-N,N'-dinitro-
CAS Number:
13126-25-5
Molecular Formula:
C4H10N6O6
Molecular Weight:
238.1588
IUPAC Name:
N,N-bis[[methyl(nitro)amino]methyl]nitramide
InChI:
InChI=1S/C4H10N6O6/c1-5(8(11)12)3-7(10(15)16)4-6(2)9(13)14/h3-4H2,1-2H3
InChI Key:
ACIRFIQPIADKHQ-UHFFFAOYSA-N
SMILES:
CN([N+](=O)[O-])CN([N+](=O)[O-])CN([N+](=O)[O-])C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.16g/mol
Monoisotopic Mass:
238.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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