0781-2863 Screening compound: 2-{nitro[2-(nitrooxy)ethyl]amino}ethyl nitrate

0781-2863 Screening compound: 2-{nitro[2-(nitrooxy)ethyl]amino}ethyl nitrate
0781-2863 Screening compound: 2-{nitro[2-(nitrooxy)ethyl]amino}ethyl nitrate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2863
2-{nitro[2-(nitrooxy)ethyl]amino}ethyl nitrate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

0781-2863

Molecular Formula

C4H8N4O8 (C4 H8 N4 O8)

Compound Name

2-{nitro[2-(nitrooxy)ethyl]amino}ethyl nitrate

IUPAC name

2-{nitro[2-(nitrooxy)ethyl]amino}ethyl nitrate

SMILES

[O-][N+](N(CCO[N+]([O-])=O)CCO[N+]([O-])=O)=O

InChI

InChI=1S/C4H8N4O8/c9-6(10)5(1-3-15-7(11)12)2-4-16-8(13)14/h1-4H2

InChI Key

NZDNCDGEHXHPCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00458724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.13

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.868

Distribution Coefficient, logD

0.868

Water Solubility, LogSw

-0.33

Polar Surface Area

137.556

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

-3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

References: we are preparing a list of scientific research reports with 0781-2863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2863?
Check Price and Availability of 0781-2863, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0781-2863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2863
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 0781-2863 available by request