N,N'-((1S,2S)-Cyclohexane-1,2-diyl)dipicolinamide - ≥98%,≥99%(ee) , CAS No.172138-95-3

CAS: 172138-95-3 Cat. No.: N587644 Peso molecular: 324.38 Número EC: 622-677-7

GRADE & PURITY ≥98%,≥99%(ee)

Synonyms

AKOS015900176 | N,N'-[(1S,2S)-Cyclohexane-1,2-diyl]di(pyridine-2-carboxamide) | A907275 | (1S,2S)-1,2-Bis(2-pyridinecarboxamido)cyclohexane | (+)-N,N/'-(1S,2S)-1,2-DIAMINOCYCLOHEXANEDIYLBIS(2-PYRIDINECARBOXAMIDE) | (S,S)-DACH-pyridyl Trost ligand, 95% | (

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AKOS015900176 | N, N'-[(1S, 2S)-Cyclohexane-1, 2-diyl]di(pyridine-2-carboxamide) | A907275 | (1S, 2S)-1, 2-Bis(2-pyridinecarboxamido)cyclohexane | (+)-N, N/'-(1S, 2S)-1, 2-DIAMINOCYCLOHEXANEDIYLBIS(2-PYRIDINECARBOXAMIDE) | (S, S)-DACH-pyridyl Trost ligand, 95% | (

Especificaciones y pureza

≥98%, ≥99%(ee)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%, ≥99%(ee)

Nombres e identificadores

• Sonrisas canónicas: C1CCC(C(C1)NC(=O)C2=CC=CC=N2)NC(=O)C3=CC=CC=N3
• IUPAC Name: N-[(1S,2S)-2-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
• InChIKey: BVYFDUZVVBXFBQ-KBPBESRZSA-N
• INCHI: 1S/C18H20N4O2/c23-17(15-9-3-5-11-19-15)21-13-7-1-2-8-14(13)22-18(24)16-10-4-6-12-20-16/h3-6,9-14H,1-2,7-8H2,(H,21,23)(H,22,24)/t13-,14-/m0/s1
• Isómeros SMILES: C1CC[C@@H]([C@H](C1)NC(=O)C2=CC=CC=N2)NC(=O)C3=CC=CC=N3
• WGK Alemania: 3
• Peso molecular: 324.38
• Reaxy-Rn: 432869
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=432869&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxamides
• Alternative Parents: 2-heteroaryl carboxamides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinecarboxamide - 2-heteroaryl carboxamide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.
• 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: 324.400 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 324.159 Da
• Monoisotopic Mass: 324.159 Da
• Topological Polar Surface Area: 84.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 403.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 1