5-[4-(Aminomethyl)phenyl]-2(1H)-pyridinone Hydrobromide (1:2) - CAS 2241142-11-8
Catalog: |
BB074381 |
Product Name: |
5-[4-(Aminomethyl)phenyl]-2(1H)-pyridinone Hydrobromide (1:2) |
CAS: |
2241142-11-8 |
Synonyms: |
5-[4-(Aminomethyl)phenyl]-1H-pyridin-2-one; dihydrobromide; 5-[4-(aminomethyl)phenyl]-1,2-dihydropyridin-2-one dihydrobromide |
IUPAC Name: | 5-[4-(aminomethyl)phenyl]-1H-pyridin-2-onedihydrobromide |
Molecular Weight: | 200.24 + 2(80.91) |
Molecular Formula: | C12H12N2O·2(HBr) |
Canonical SMILES: | C1=CC(=CC=C1CN)C2=CNC(=O)C=C2.Br.Br |
InChI: | InChI=1S/C12H12N2O.2BrH/c13-7-9-1-3-10(4-2-9)11-5-6-12(15)14-8-11/h1-6,8H,7,13H2,(H,14,15)2*1H |
InChI Key: | RDXDZXHIDNDPGG-UHFFFAOYSA-N |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 361.94524 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 359.94729 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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