endo-BCN-PEG3-Boc-amine - ≥95% , CAS No.1807501-84-3

CAS: 1807501-84-3 Cat. No.: E595231 Formule: C₂₄H₄₀N₂O₇ Poids moléculaire: 468.6 PubChem CID: 91757928

GRADE & PURITY ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Vue d’ensemble

endo-BCN-PEG3-Boc-amine is a PEG derivative containing a BCN group and a Boc-protected amine. The protected amine can be deprotected under mild acidic conditions. The BCN group can react with azide-tagged biomolecules.

Specifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at -20°C

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

≥95%

Noms et identifiants

Sourires canoniques

CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)OCC1C2C1CCC#CCC2

IUPAC Name

tert-butyl N-[2-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate

InChIKey

TUOLXDJYWZRBJY-UHFFFAOYSA-N

INCHI

1S/C24H40N2O7/c1-24(2,3)33-23(28)26-11-13-30-15-17-31-16-14-29-12-10-25-22(27)32-18-21-19-8-6-4-5-7-9-20(19)21/h19-21H,6-18H2,1-3H3,(H,25,27)(H,26,28)

Isomères SMILES

CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)OCC1C2C1CCC#CCC2

PubChem CID

91757928

Poids moléculaire

468.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Carbamic acids and derivatives
            • Level7 Carbamate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Carbamic acids and derivatives
• Direct Parent: Carbamate esters
• Alternative Parents: Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Carbamic acid ester - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
• 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

• Solubilité: Solubility in DMSO, DCM, DMF
• Poids moléculaire: 468.600 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 17
• Exact Mass: 468.284 Da
• Monoisotopic Mass: 468.284 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 647.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1807501-84-3, the molecular formula is C24H40N2O7, and the molecular weight is 468.6 g/mol. InChIKey TUOLXDJYWZRBJY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.