Allyloxycarbonyl succinimidyl ester

Inquiry

Molecular Formula:

C8H9NO5

Molecular Weight:

199.16

CAS Number:

135544-68-2

Catalog Number:

135544-68-2

Product Information

Molecular Formula:

C8H9NO5

Molecular Weight:

199.16

Description

Allyloxycarbonyl succinimidyl ester can be used as a building block for the preparation of glycopeptide scaffolds and a reagent in the synthesis of various functional cyclic carbonate monomers from 2-amino-1,3-propane diols.

Synonyms

Allyl N-Succinimidyl Carbonate; AmbotzRL-1108; alloc-N-hydroxysuccinimide; N-(Allyloxycarbonyloxy)succinimide; allyloxycarbonyl-N-hydroxysuccinimide; Alloc-OSu; AllylN-succinimidylcarbonate; carbonic acid allyl ester 2,5-dioxo-pyrrolidin-1-yl ester; Allyl (2,5-dioxopyrrolidin-1-yl) carbonate; CTK8B0450; DTXSID10472673; ZINC2583986; ANW-19957; Aloc-OSu

IUPAC Name

(2,5-dioxopyrrolidin-1-yl) prop-2-enyl carbonate

Canonical SMILES

C=CCOC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C8H9NO5/c1-2-5-13-8(12)14-9-6(10)3-4-7(9)11/h2H,1,3-5H2

InChI Key

OIXALTPBNZNFLJ-UHFFFAOYSA-N

Boiling Point

269.5±33.0 °C (Predicted)

Melting Point

21 °C

Flash Point

117 °C

Purity

95 % (HPLC)

Density

1.287 g/mL at 25 °C

Appearance

White solid

Storage

2-8 °C

Refractive Index

1.48

LogP

0.32750

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

0.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

199.04807239 g/mol

Monoisotopic Mass

199.04807239 g/mol

Topological Polar Surface Area

72.9Å²

Heavy Atom Count

Formal Charge

Complexity

270

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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