3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride - ≥97% , CAS No.1173081-96-3

CAS: 1173081-96-3 Cat. No.: A172302 Peso molecular: 188.66 Número EC: 822-586-4

GRADE & PURITY ≥97%

Synonyms

3-(Aminomethyl)-4,6-dimethyl-2(1H)-pyridinone hydrochloride | 3-(aminomethyl)-4,6-dimethylpyridin-2(1H)-onehydrochloride | DS-4627 | PB10649 | 3-(AMINOMETHYL)-4,6-DIMETHYL-1H-PYRIDIN-2-ONE, HCL | 3-aminomethyl-4,6-dimethyl-1H-pyridin-2-one hydrochloride |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-(Aminomethyl)-4, 6-dimethyl-2(1H)-pyridinone hydrochloride | 3-(aminomethyl)-4, 6-dimethylpyridin-2(1H)-onehydrochloride | DS-4627 | PB10649 | 3-(AMINOMETHYL)-4, 6-DIMETHYL-1H-PYRIDIN-2-ONE, HCL | 3-aminomethyl-4, 6-dimethyl-1H-pyridin-2-one hydrochloride |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504770219
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770219
• Sonrisas canónicas: CC1=CC(=C(C(=O)N1)CN)C.Cl
• IUPAC Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride
• InChIKey: ZMDPNGUJHPRAMG-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2O.ClH/c1-5-3-6(2)10-8(11)7(5)4-9;/h3H,4,9H2,1-2H3,(H,10,11);1H
• Isómeros SMILES: CC1=CC(=C(C(=O)N1)CN)C.Cl
• Peso molecular: 188.66
• Reaxy-Rn: 21956981
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21956981&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: Methylpyridines Dihydropyridines Aralkylamines Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Pyridinone - Methylpyridine - Aralkylamine - Heteroaromatic compound - Lactam - Azacycle - Amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 188.650 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 188.072 Da
• Monoisotopic Mass: 188.072 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 251.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3