R090-0027 Screening compound: N1,N1-diethyl-3-methylbenzene-1,4-diamine

R090-0027 Screening compound: N1,N1-diethyl-3-methylbenzene-1,4-diamine
R090-0027 Screening compound: N1,N1-diethyl-3-methylbenzene-1,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound R090-0027
N1,N1-diethyl-3-methylbenzene-1,4-diamine

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

R090-0027

Molecular Formula

C11H18N2 (C11 H18 N2)

Compound Name

N1,N1-diethyl-3-methylbenzene-1,4-diamine

IUPAC name

N1N1-diethyl-3-methylbenzene-14-diamine

SMILES

CCN(CC)c(cc1)cc(C)c1N

InChI

InChI=1S/C11H18N2/c1-4-13(5-2)10-6-7-11(12)9(3)8-10/h6-8H,4-5,12H2,1-3H3

InChI Key

XBTWVJKPQPQTDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00137576

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

178.28

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.223

Distribution Coefficient, logD

1.217

Water Solubility, LogSw

-2.20

Polar Surface Area

23.071

Acid Dissociation Constant (pKa)

21.99

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

R090-0027 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with R090-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R090-0027?
Check Price and Availability of R090-0027, 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 R090-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R090-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R090-0027
  • 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 R090-0027 available by request