0167-0005 Screening compound: 2-[(dimethylamino)methyl]-3-nitrophenol

0167-0005 Screening compound: 2-[(dimethylamino)methyl]-3-nitrophenol
0167-0005 Screening compound: 2-[(dimethylamino)methyl]-3-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0167-0005
2-[(dimethylamino)methyl]-3-nitrophenol

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

0167-0005

Molecular Formula

C9H12N2O3 (C9 H12 N2 O3)

Compound Name

2-[(dimethylamino)methyl]-3-nitrophenol

IUPAC name

2-[(dimethylamino)methyl]-3-nitrophenol

SMILES

CN(C)Cc(c(O)ccc1)c1[N+]([O-])=O

InChI

InChI=1S/C9H12N2O3/c1-10(2)6-7-8(11(13)14)4-3-5-9(7)12/h3-5,12H,6H2,1-2H3

InChI Key

QEFBLAZJRCGZGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00466500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

196.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.362

Distribution Coefficient, logD

0.664

Water Solubility, LogSw

-1.75

Polar Surface Area

53.754

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 0167-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0167-0005?
Check Price and Availability of 0167-0005, 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 0167-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0167-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0167-0005
  • 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 0167-0005 available by request