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1924-47-6 | 1-Propanamine, N-(2,2-dinitropropyl)-2,2-dinitro-
CAS No: 1924-47-6 Catalog No: AG002FXN MDL No:
Product Description
Catalog Number:
AG002FXN
Chemical Name:
1-Propanamine, N-(2,2-dinitropropyl)-2,2-dinitro-
CAS Number:
1924-47-6
Molecular Formula:
C6H11N5O8
Molecular Weight:
281.1802
IUPAC Name:
N-(2,2-dinitropropyl)-2,2-dinitropropan-1-amine
InChI:
InChI=1S/C6H11N5O8/c1-5(8(12)13,9(14)15)3-7-4-6(2,10(16)17)11(18)19/h7H,3-4H2,1-2H3
InChI Key:
HAGMWDPJNHGCLV-UHFFFAOYSA-N
SMILES:
CC([N+](=O)[O-])([N+](=O)[O-])CNCC([N+](=O)[O-])([N+](=O)[O-])C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.181g/mol
Monoisotopic Mass:
281.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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