1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane - ≥97% , CAS No.18084-64-5

CAS: 18084-64-5 Cat. No.: T162092 Peso molecular: 532.78 Número EC: 686-196-4 PubChem CID: 428363

GRADE & PURITY ≥97%

Synonyms

1,4,7,10-Tetraazacyclododecane, 1,4,7,10-tetrakis(phenylmethyl)- | 1,4,7,10-tetrakisbenzyl-1,4,7,10-tetraazacyclododecane | T3356 | 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane | AS-71723 | MFCD05864401 | SCHEMBL2489199 | T71960 | A812564 | AKOS015

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1, 4, 7, 10-Tetraazacyclododecane, 1, 4, 7, 10-tetrakis(phenylmethyl)- | 1, 4, 7, 10-tetrakisbenzyl-1, 4, 7, 10-tetraazacyclododecane | T3356 | 1, 4, 7, 10-Tetrabenzyl-1, 4, 7, 10-tetraazacyclododecane | AS-71723 | MFCD05864401 | SCHEMBL2489199 | T71960 | A812564 | AKOS015

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, 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

≥97%

Nombres e identificadores

• Pubchem Sid: 504758675
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758675
• Sonrisas canónicas: C1CN(CCN(CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5
• IUPAC Name: 1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
• InChIKey: VXOJKUWHCFFUCO-UHFFFAOYSA-N
• INCHI: 1S/C36H44N4/c1-5-13-33(14-6-1)29-37-21-23-38(30-34-15-7-2-8-16-34)25-27-40(32-36-19-11-4-12-20-36)28-26-39(24-22-37)31-35-17-9-3-10-18-35/h1-20H,21-32H2
• Isómeros SMILES: C1CN(CCN(CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5
• PubChem CID: 428363
• Peso molecular: 532.78
• Reaxy-Rn: 1194996

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

• Sensibilidad: Light sensitive
• Punto de fusión (°C): 145 °C
• Peso molecular: 532.800 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 532.357 Da
• Monoisotopic Mass: 532.357 Da
• Topological Polar Surface Area: 13.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 517.000
• 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