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113515-42-7

113515-42-7 | 1,3,5-Triazine-2,4,6-triamine, N2,N2,N4,N4,N6,N6-hexakis(2-nitroethyl)-

CAS No: 113515-42-7 Catalog No: AG0008V9 MDL No:

Product Description

Catalog Number:
AG0008V9
Chemical Name:
1,3,5-Triazine-2,4,6-triamine, N2,N2,N4,N4,N6,N6-hexakis(2-nitroethyl)-
CAS Number:
113515-42-7
Molecular Formula:
C15H24N12O12
Molecular Weight:
564.4243
IUPAC Name:
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(2-nitroethyl)-1,3,5-triazine-2,4,6-triamine
InChI:
InChI=1S/C15H24N12O12/c28-22(29)7-1-19(2-8-23(30)31)13-16-14(20(3-9-24(32)33)4-10-25(34)35)18-15(17-13)21(5-11-26(36)37)6-12-27(38)39/h1-12H2
InChI Key:
YOQFBFMGKQRJBN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCN(c1nc(nc(n1)N(CC[N+](=O)[O-])CC[N+](=O)[O-])N(CC[N+](=O)[O-])CC[N+](=O)[O-])CC[N+](=O)[O-]

Properties

Complexity:
672  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
564.164g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
18  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
564.429g/mol
Monoisotopic Mass:
564.164g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
323A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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