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16293-12-2 | 1,4-Benzenediamine, N4,N4-dimethyl-2-nitro-
CAS No: 16293-12-2 Catalog No: AG001TK5 MDL No:
Product Description
Catalog Number:
AG001TK5
Chemical Name:
1,4-Benzenediamine, N4,N4-dimethyl-2-nitro-
CAS Number:
16293-12-2
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
IUPAC Name:
4-N,4-N-dimethyl-2-nitrobenzene-1,4-diamine
InChI:
InChI=1S/C8H11N3O2/c1-10(2)6-3-4-7(9)8(5-6)11(12)13/h3-5H,9H2,1-2H3
InChI Key:
COWGRITUYIECBW-UHFFFAOYSA-N
SMILES:
CN(c1ccc(c(c1)[N+](=O)[O-])N)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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