R052-1913 Screening compound: 1-(adamantan-1-yl)ethan-1-amine

R052-1913 Screening compound: 1-(adamantan-1-yl)ethan-1-amine
R052-1913 Screening compound: 1-(adamantan-1-yl)ethan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1913
1-(adamantan-1-yl)ethan-1-amine

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

R052-1913

Molecular Formula

C12H21N (C12 H21 N)

Compound Name

1-(adamantan-1-yl)ethan-1-amine

IUPAC name

1-(adamantan-1-yl)ethan-1-amine

SMILES

CC(C1(CC(C2)C3)CC3CC2C1)N

InChI

InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9?,10?,11?,12?/m0/s1

InChI Key

UBCHPRBFMUDMNC-JKJWBTBISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

179.31

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

1.744

Distribution Coefficient, logD

-0.406

Water Solubility, LogSw

-1.43

Polar Surface Area

20.624

Acid Dissociation Constant (pKa)

25.83

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

100.00

R052-1913 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with R052-1913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1913?
Check Price and Availability of R052-1913, 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 R052-1913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1913
  • 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 R052-1913 available by request