2-Aminomethyl-3-nitropyridine - CAS 1824097-41-7
Catalog: |
BB061434 |
Product Name: |
2-Aminomethyl-3-nitropyridine |
CAS: |
1824097-41-7 |
Synonyms: |
(3-nitropyridin-2-yl)methanamine; 2-Aminomethyl-3-nitropyridine; 1-(3-nitropyridin-2-yl)methanamine |
IUPAC Name: | (3-nitropyridin-2-yl)methanamine |
Molecular Weight: | 153.14 |
Molecular Formula: | C6H7N3O2 |
Canonical SMILES: | C1=CC(=C(N=C1)CN)[N+](=O)[O-] |
InChI: | InChI=1S/C6H7N3O2/c7-4-5-6(9(10)11)2-1-3-8-5/h1-3H,4,7H2 |
InChI Key: | CCSXJBGBEXZUAD-UHFFFAOYSA-N |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.053826475 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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