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10119-99-0 | Ethanamine, 2,2-dinitro-
CAS No: 10119-99-0 Catalog No: AG0003XB MDL No:
Product Description
Catalog Number:
AG0003XB
Chemical Name:
Ethanamine, 2,2-dinitro-
CAS Number:
10119-99-0
Molecular Formula:
C2H5N3O4
Molecular Weight:
135.0788
IUPAC Name:
2,2-dinitroethanamine
InChI:
InChI=1S/C2H5N3O4/c3-1-2(4(6)7)5(8)9/h2H,1,3H2
InChI Key:
VBOZRIVJUWIREO-UHFFFAOYSA-N
SMILES:
NCC([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.028g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.079g/mol
Monoisotopic Mass:
135.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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