2-Amino-6-(benzylamino)-3-nitropyridine - CAS 21626-43-7
Catalog: |
BB061296 |
Product Name: |
2-Amino-6-(benzylamino)-3-nitropyridine |
CAS: |
21626-43-7 |
Synonyms: |
2-Amino-6-(benzylamino)-3-nitropyridine; 6-N-benzyl-3-nitropyridine-2,6-diamine; 2-amino-6-benzylamino-3-nitropyridine; 3-Nitro-6-(benzylamino)pyridine-2-amine |
IUPAC Name: | 6-N-benzyl-3-nitropyridine-2,6-diamine |
Molecular Weight: | 244.25 |
Molecular Formula: | C12H12N4O2 |
Canonical SMILES: | C1=CC=C(C=C1)CNC2=NC(=C(C=C2)[N+](=O)[O-])N |
InChI: | InChI=1S/C12H12N4O2/c13-12-10(16(17)18)6-7-11(15-12)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,13,14,15) |
InChI Key: | RAGAMBSCSBOXBU-UHFFFAOYSA-N |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.09602564 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.09602564 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 96.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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