DLin-KC2-DMA - ≥98% , CAS No.1190197-97-7

CAS: 1190197-97-7 Cat. No.: D412292 Formule: C₄₃H₇₉NO₂ Poids moléculaire: 642.09

GRADE & PURITY ≥98%

Synonyms

1,​3-​Dioxolane-​4-​ethanamine,N,​N-​dimethyl-​2,​2-​di-​(9Z,​12Z)​-​9,​12-​octadecadien-​1-​yl-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Vue d’ensemble

Information

DLin-KC2-DMA is a useful lipid for lipid-based nanoparticle (LNP) delivery system.

Specifications

Synonymes

1,​3-​Dioxolane-​4-​ethanamine,N,​N-​dimethyl-​2,​2-​di-​(9Z,​12Z)​-​9,​12-​octadecadien-​1-​yl-

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

DLin-KC2-DMA is a useful lipid for lipid-based nanoparticle (LNP) delivery system.

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528764200
• Sourires canoniques: CCCCCC=CCC=CCCCCCCCCC1(OCC(O1)CCN(C)C)CCCCCCCCC=CCC=CCCCCC
• IUPAC Name: 2-[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]-N,N-dimethylethanamine
• InChIKey: LRFJOIPOPUJUMI-KWXKLSQISA-N
• INCHI: 1S/C43H79NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-43(45-41-42(46-43)37-40-44(3)4)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,42H,5-12,17-18,23-41H2,1-4H3/b15-13-,16-14-,21-19-,22-20-
• Isomères SMILES: CCCCC/C=C\C/C=C\CCCCCCCCC1(OC(CO1)CCN(C)C)CCCCCCCC/C=C\C/C=C\CCCCC
• Poids moléculaire: 642.09
• Reaxy-Rn: 24022210
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24022210&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: 1,3-dioxolanes Trialkylamines Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Ketal - Meta-dioxolane - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 642.100 g/mol
• XLogP3: 15.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 33
• Exact Mass: 641.611 Da
• Monoisotopic Mass: 641.611 Da
• Topological Polar Surface Area: 21.700 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 704.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1