Bis(2,6-diisopropylphenyl)carbodiimide - Viscosity (50 ° C) : 16-24 mPas , CAS No.2162-74-5

CAS: 2162-74-5 Cat. No.: A298741 Molecular Weight: 362.55 EC Number: 218-487-5

GRADE & PURITY Viscosity (50 ° C) : 16-24 mPas

Synonyms

Carbo D | UNII-YPK27Z98PL | HMS553G24 | SY035749 | Carbodiimide, bis(2,6-diisopropylphenyl)- | Benzenamine, N,N'-methanetetraylbis[2,6-bis(1-methylethyl)- | FT-0654584 | DTXSID5047031 | bis(2,6-di-2-propylphenyl)carbodiimide | EINECS 218-487-5 | 2-ethylhe

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Carbo D | UNII-YPK27Z98PL | HMS553G24 | SY035749 | Carbodiimide, bis(2, 6-diisopropylphenyl)- | Benzenamine, N, N'-methanetetraylbis[2, 6-bis(1-methylethyl)- | FT-0654584 | DTXSID5047031 | bis(2, 6-di-2-propylphenyl)carbodiimide | EINECS 218-487-5 | 2-ethylhe

Specifications & Purity

Viscosity (50 ° C) : 16-24 mPas

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504754907
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754907
• Canonical Smiles: CC(C)C1=C(C(=CC=C1)C(C)C)N=C=NC2=C(C=CC=C2C(C)C)C(C)C
• InChIKey: XLDBGFGREOMWSL-UHFFFAOYSA-N
• INCHI: 1S/C25H34N2/c1-16(2)20-11-9-12-21(17(3)4)24(20)26-15-27-25-22(18(5)6)13-10-14-23(25)19(7)8/h9-14,16-19H,1-8H3
• Isomeric SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N=C=NC2=C(C=CC=C2C(C)C)C(C)C
• Molecular Weight: 362.55
• Reaxy-Rn: 2675165
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2675165&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Propargyl-type 1,3-dipolar organic compounds Carbodiimides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Cumene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbodiimide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• 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

• Melt Point(°C): 51 °C
• Molecular Weight: 362.500 g/mol
• XLogP3: 9.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 362.272 Da
• Monoisotopic Mass: 362.272 Da
• Topological Polar Surface Area: 24.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 419.000
• 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

References

1. Junqiang Zhao, Caixia Yan, Ze Chen, Jinjian Liu, Huijuan Song, Weiwei Wang, Jianfeng Liu, Ning Yang, Yiping Zhao, Li Chen.  (2019)  Dual-targeting nanoparticles with core-crosslinked and pH/redox-bioresponsive properties for enhanced intracellular drug delivery.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:30634060] [10.1016/j.jcis.2019.01.021]