N1,N3-Bis(2,2,6,6-tetramethylpiperidin-4-yl)isophthalamide - ≥98% , CAS No.42774-15-2

CAS: 42774-15-2 Cat. No.: N405453 Molecular Weight: 442.65 EC Number: 419-710-0

GRADE & PURITY ≥98%

Synonyms

n,n'-bis(2,2,6,6-tetramethyl-4-piperidinyl)isophthalamide | N1,N3-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide | MFCD09751152 | 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide | SCHEMBL310763 | B6154 | 1,3-Benzen

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

n, n'-bis(2, 2, 6, 6-tetramethyl-4-piperidinyl)isophthalamide | N1, N3-bis(2, 2, 6, 6-tetramethylpiperidin-4-yl)benzene-1, 3-dicarboxamide | MFCD09751152 | 1-N, 3-N-bis(2, 2, 6, 6-tetramethylpiperidin-4-yl)benzene-1, 3-dicarboxamide | SCHEMBL310763 | B6154 | 1, 3-Benzen

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504764224
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764224
• Canonical Smiles: CC1(CC(CC(N1)(C)C)NC(=O)C2=CC(=CC=C2)C(=O)NC3CC(NC(C3)(C)C)(C)C)C
• IUPAC Name: 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
• InChIKey: OYNOCRWQLLIRON-UHFFFAOYSA-N
• INCHI: 1S/C26H42N4O2/c1-23(2)13-19(14-24(3,4)29-23)27-21(31)17-10-9-11-18(12-17)22(32)28-20-15-25(5,6)30-26(7,8)16-20/h9-12,19-20,29-30H,13-16H2,1-8H3,(H,27,31)(H,28,32)
• Isomeric SMILES: CC1(CC(CC(N1)(C)C)NC(=O)C2=CC(=CC=C2)C(=O)NC3CC(NC(C3)(C)C)(C)C)C
• Molecular Weight: 442.65
• Reaxy-Rn: 11851782
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11851782&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives Piperidines Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Benzoyl - Piperidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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

Chemical and Physical Properties

• Solubility: Very slightly soluble in Ethanol
• Sensitivity: Air Sensitive,Heat Sensitive
• Melt Point(°C): 274 °C
• Molecular Weight: 442.600 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 442.331 Da
• Monoisotopic Mass: 442.331 Da
• Topological Polar Surface Area: 82.300 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 623.000
• 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: 1