1822-0668 Screening compound: 3-(benzylamino)propanenitrile

1822-0668 Screening compound: 3-(benzylamino)propanenitrile
1822-0668 Screening compound: 3-(benzylamino)propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1822-0668
3-(benzylamino)propanenitrile

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

1822-0668

Molecular Formula

C10H12N2 (C10 H12 N2)

Compound Name

3-(benzylamino)propanenitrile

IUPAC name

3-(benzylamino)propanenitrile

SMILES

N#CCCNCc1ccccc1

InChI

InChI=1S/C10H12N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,8-9H2

InChI Key

MWTGBAURSCEGSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00001955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

160.22

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

0.565

Distribution Coefficient, logD

0.413

Water Solubility, LogSw

-1.03

Polar Surface Area

29.609

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

1822-0668 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1822-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1822-0668?
Check Price and Availability of 1822-0668, 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 1822-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1822-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1822-0668
  • 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 1822-0668 available by request