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25948-11-2 | 2-Pyridinamine, 5-nitro-N-propyl-
CAS No: 25948-11-2 Catalog No: AG002R5S MDL No:MFCD00084819
Product Description
Catalog Number:
AG002R5S
Chemical Name:
2-Pyridinamine, 5-nitro-N-propyl-
CAS Number:
25948-11-2
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD00084819
IUPAC Name:
5-nitro-N-propylpyridin-2-amine
InChI:
InChI=1S/C8H11N3O2/c1-2-5-9-8-4-3-7(6-10-8)11(12)13/h3-4,6H,2,5H2,1H3,(H,9,10)
InChI Key:
KZWODZHPEMBNTR-UHFFFAOYSA-N
SMILES:
CCCNc1ccc(cn1)[N+](=O)[O-]
EC Number:
247-357-0
Properties
Complexity:
169
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:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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