N-hydroxy-5-norbornene-2.3-dicarboxylimide

Inquiry

Molecular Formula:

C9H9NO3

Molecular Weight:

179.17

CAS Number:

21715-90-2

Catalog Number:

21715-90-2

Product Information

Molecular Formula:

C9H9NO3

Molecular Weight:

179.17

Description

N-hydroxy-5-norbornene-2.3-dicarboxylimide is used in solution-phase peptide synthesis. Used in the synthesis of enkephalin analogs.

Synonyms

3a,4,7,7a-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione; N-Hydroxy-5-norbornene-2,3-dicarboximide; 3,5-Dioxo-4-azatricyclo[5.2.1.02'6]dec-8-en-4-ol; HONB; N-Hydroxy-5-bicyclo[2.2.1]heptene-2,3-dicarboximide; N-Hydroxy-5-norbornene-2,3-dicarboximide; NSC 100740; NSC 12953; Endo-N-Hydroxy-5-Norbornene-2; N-Hydroxynorborna-5-ene-2,3-dicarbimide; N-Hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid imide; SCHEMBL6052; Oprea1_006565; HONB

IUPAC Name

4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Canonical SMILES

C1C2C=CC1C3C2C(=O)N(C3=O)O

InChI

InChI=1S/C9H9NO3/c11-8-6-4-1-2-5(3-4)7(6)9(12)10(8)13/h1-2,4-7,13H,3H2

InChI Key

ZUSSTQCWRDLYJA-UHFFFAOYSA-N

Boiling Point

311.7 °C (Predicted)

Melting Point

165-170 °C

Purity

98 % (HPLC)

Density

1.282 g/cm³ (Predicted)

Solubility

Soluble in Ethanol, DMSO, Methanol

Appearance

Off-white to white crystalline powder

Storage

Refractive Index

1.5600 (estimate)

LogP

0.12060

Safety Information

Hazards

H315 H319 H335

Precautionary Statement

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

Signal Word

Warning

Computed Properties

XLogP3

-0.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

179.058243149 g/mol

Monoisotopic Mass

179.058243149 g/mol

Topological Polar Surface Area

57.6Å²

Heavy Atom Count

Formal Charge

Complexity

306

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

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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N-hydroxy-5-norbornene-2.3-dicarboxylimide

Product Information

Safety Information

Computed Properties

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