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145697-05-8 | 1,2-Ethanediamine, N1-(6-nitro-2-pyridinyl)-
CAS No: 145697-05-8 Catalog No: AG001DAW MDL No:
Product Description
Catalog Number:
AG001DAW
Chemical Name:
1,2-Ethanediamine, N1-(6-nitro-2-pyridinyl)-
CAS Number:
145697-05-8
Molecular Formula:
C7H10N4O2
Molecular Weight:
182.1799
IUPAC Name:
N'-(6-nitropyridin-2-yl)ethane-1,2-diamine
InChI:
InChI=1S/C7H10N4O2/c8-4-5-9-6-2-1-3-7(10-6)11(12)13/h1-3H,4-5,8H2,(H,9,10)
InChI Key:
DTAOYFUQLIOFNZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(n1)NCCN
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.183g/mol
Monoisotopic Mass:
182.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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