N,N′-Dicyclohexylcarbodiimide solution - 1.0 M in methylene chloride , CAS No.538-75-0

CAS: 538-75-0 Cat. No.: D432856 Formula: C₁₃H₂₂N₂ Peso molecolare: 206.33 Beilstein Registry Number: 610662 Numero EC: 208-704-1

GRADE & PURITY 1.0 M in methylene chloride

Synonyms

DCC | EC 208-704-1 | STL089892 | 1,3-dicyclohexylcarbodimide | N,N'-Methanetetraylbiscyclohexaamine | US8815951, N/A | AI3-08191 | DCC | dicyclohexyl carbodimide | dicyclohexylcarbod iimide | NSC53373 | NSC-53373 | 1, 3-dicyclohexylcarbodiimide | DICYCLOH

Storage

Room temperature

Panoramica

Application：

DCC ( N , N ′-Dicyclohexylcarbodiimide) is mainly used to mediate peptide coupling and also to activate carboxylic acids for esterification.

Specifications

Sinonimi

DCC | EC 208-704-1 | STL089892 | 1,3-dicyclohexylcarbodimide | N,N'-Methanetetraylbiscyclohexaamine | US8815951, N/A | AI3-08191 | DCC | dicyclohexyl carbodimide | dicyclohexylcarbod iimide | NSC53373 | NSC-53373 | 1, 3-dicyclohexylcarbodiimide | DICYCLOH

Specifiche e purezza

1.0 M in methylene chloride

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

Pubchem Sid

528765739

Sorrisi canonici

C1CCC(CC1)N=C=NC2CCCCC2

InChIKey

QOSSAOTZNIDXMA-UHFFFAOYSA-N

INCHI

1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2

Isomeri SMILES

C1CCC(CC1)N=C=NC2CCCCC2

WGK Germania

1

RTECS

FF2160000

Numero UN

2811

Gruppo di imballaggio

I

Peso molecolare

206.33

Beilstein

610662

Reaxy-Rn

610662

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=610662&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Carbodiimides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Carbodiimides
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbodiimides
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbodiimide - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as carbodiimides. These are organic compounds containing a functional group consisting of the formula RN=C=NR.
• External Descriptors: a small molecule

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

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EPHX1 Tchem Epoxide hydrolase 1 (1 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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EPHX1 Tchem Epoxide hydrolase 1 (644 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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MT4 (17854 Activities)

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Obiettivi associati (non umani)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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lef Anthrax lethal factor (7585 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 206.330 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 206.178 Da
• Monoisotopic Mass: 206.178 Da
• Topological Polar Surface Area: 24.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 201.000
• 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