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Chemical Databases

Find physical and chemical properties of compounds, molecules, and atoms. Abstracts, patents, and chemical incompatibilities all have databases.

Chemical Names for Common Substances

Do you need to know the chemical name for aspirin or baking soda? This is the list for you! Look up the common name of a substance to see its chemical or scientific name.

Element Photos

You probably know what elemental carbon looks like (think diamond or graphite), but you might not know what indium or cadmium look like. Here's a collection of photographs of the elements to help you out.

Science Laboratory Safety Signs

This is a collection of safety signs and symbols commonly seen in a science laboratory, particularly a chemistry lab.

Valences of the Elements

The valences aren't just those you see in the columns of the periodic table! Check out this chart of element valences to help determine potential chemical reactions.

Drugs from Plants

This is a table listing many of the pharmaceuticals that are derived from plants, including the names of the drugs, their actions, plant sources, and the common names of the plants.

Electronic Configuration of the Elements

This table is a compilation of the electron configurations of the elements up through number 104. Tips for writing out stable configurations and for shorthand notation are included.

2001 Atomic Weights

The IUPAC Commission on Atomic Weights and Isotopic Abundances 2001 list is provided here. It's interesting to see how abundances 'change' over time.

AntiCancer Agent Mechanism Database

Proper browser plug-ins allow access to three-dimensional viewing. From the National Cancer Institute.

Athena Mineralogy Database

This is a comprehensive searchable database with mineral formulas, systems, and pictures. Links, shareware, a bibliography, and abbreviations are also provided.

Atomic Weights of the Elements

Web version of the International Union of Pure and Applied Chemistry data. From Queen Mary & Westfield College.

BioMagResBank

This is an internet repository for NMR spectroscopy data on proteins, peptides, and nucleic acids. Separate sections exist for biological macromolecules, NMR spectral parameters, kinetics, thermodynamics, and structure.

Biomolecular Modeling Laboratory

Software and databases allowing manipulations of protein/nucleic acid structures. From Imperial Cancer Research Fund.

CATH Protein Structure Classification

Explore protein Class, Architecture, Topology and Homologous superfamily. From University College London.

CCIIM

Clearinghouse for Chemical Information Instructional Materials. Chemical patents, chemical name, and formula searching.

Center for Molecular Modeling

Tutorials and databases of macromolecular structure and dynamics. From US National Institutes of Health.

Chemcompass

Chemcompass provides a database for the chemical industry of over 20,000 products, 2,000 companies, brands, EINECS or CAS numbers, company information, and other data. Registration is required. Viewable in English or German.

ChemExper

ChemExper offers a free service to locate a chemical by molecular formula, IUPAC name, common name, CAS number, catalog number, substructure, or physical characteristics. The database includes over 70,000 chemicals, 16,000 MSDS, 5,000 IR spectra, and 20 suppliers.

Chemical Abstracts Service

World's largest chemical database repository. A division of the American Chemical Society. Requires paid subscription.

Chemical Information Page

Extensive databases include general chemicals, drugs, and environmental hazards. Visualization of structures requires Chime plug-in. From Specialized Information Services, US National Library of Medicine.

Chemical Resistance of Resin Materials

List includes nylon, polypropylene, and PVDF. From Eldon James, Corp.

Chemicals with Pharmaceutical Activity

Requires chemical structure plug-ins for visualization. From University of Oxford.

CHEMystery Reference Tables

Solubilities, reduction potentials, gas densities.

Coffee and Caffeine FAQs

With additional information on theobromine and theophylline.

DAIN Metadatabase

A search engine for environmental chemical databases. From Kristina Voigt and Joachim Benz.

Digital Spectral Library

Plots of reflectance spectra and descriptive data for minerals. From the US Geological Survey.

Distillation, Vapor Pressure, and Equilibria

Tables and calculations involving vapor-liquid equilibria. From Shuzo Ohe, Science University of Japan.

DTP Anti-cancer Agent Mechanism Database

The Anti-cancer Agent Mechanism Database is a set of 122 compounds with anti-cancer activity and reasonably well-known mechanisms. Chemical MIME is necessary for use.

Dudley Chemical Corporation

Lists of CAS numbers of dyes, stains, indicators, and some other reagents.

ECTOC Hyperglossary

Molecules and the papers to which they are linked. From the Electronic Conferences on Trends in Organic Chemistry.

Enzyme Structures Database

Collection of enzyme structure entries in the Brookhaven Protein Data Bank. From University College London.

ExPASy Molecular Biology Server

Proteomics gateway to protein and enzyme databases, homology searches, and structural predictions. From the Swiss Institute of Bioinformatics.

Food Composition Data

Chemical information pertaining to foods: analytical techniques, nutritive values, sugar, vitamin, and trans fatty acid content, etc. From the US Department of Agriculture.

HerbMed

Search for information on traditional and modern herbal preparations and publications relating to their medicinal uses. From the Alternative Medicine Foundation.

Hetero Compound Information Center

Search for information about some small molecules present in the Protein Data Bank (PDB). From Gerard J. Kleywegt, Uppsala University.

INSC Material Properties Database

Focuses on materials used in light water nuclear reactors. From the International Nuclear Safety Center.

Institute for Scientific Information

Publishers of Current Contents and the Web of Science. Requires paid subscription.

Kyoto Encyclopedia of Genes and Genomes

Search for biological compounds, enzymes, metabolic pathways, and chromosomes. From Kyoto University.

Lund Nuclear Data WWW Service

Data tables include information on atomic masses, half-life, isotopes, and radioactive decay products. From Lunds Universitet.

MatWeb

Search for mechanical, physical, and thermal properties from a wide array of materials.

Metalloprotein Database and Browser

Evaluations of protein/metal interactions. From Jesus M. Castagnetto, Scripps Research Institute.

Mineral Gallery

Chemistry, characteristics, and identification of minerals. From Amethyst Galleries.

Mineral Spectroscopy Server

Visible, infrared, and Raman spectra of minerals. From George R. Rossman, California Institute of Technology.

Mineralogy Database

Classification schemes, chemical composition, crystallography. From David Barthelmy.

Molecules R US

Searches PDB (Protein Data Bank) and gives graphical output of desired protein. Ribbons-Image provides adequate output for most browsers. From the US National Institutes of Health.

MSDS-Search

Information concerning Material Safety Data Sheets including databases, manufacturers, and software.

NIST Atomic Spectra Databases

Display data by energy level or wavelength. From the National Institutes of Standards and Technology.

NIST Chemistry WebBook

A very complete standard reference database. Also see their Reference on Constants, Units, and Uncertainty.

NTP Study Databases

Search for information on known toxic substances or those under study. From the National Toxicology Program, US Department of Health and Human Services.

Optima X

Searchable database for chemometrics publications and information. From Rasmus Bro, The Royal Veterinary and Agricultural University, Denmark.

Organic Compounds Database

Search on molecular weight, melting point, empirical formulas, etc.

Pherolist

Female moth pheromones that attract male moths.

Physical Reference Data

SI units, atomic weights, ground states, atomic spectra, nuclear physics data. From National Institute of Standards and Technology.

PRINTS - Protein Motif Fingerprint Database

Search for recurrent structural motifs in your protein of interest. From University College London.

Properties of Various Gases

Critical temperatures and pressures of hundreds of gases. From Flexware.

PROWL

Protein mass spectrometry analysis site. Includes chemical properties of amino acids and peptides, and ability to search protein databases. From Rockefeller University.

PSIGate - Physical Sciences Information Gateway

PSIGate is the physical sciences information gateway of the UK's Resource Discovery Network. The site provides access to internet science resources for astronomy, chemistry, earth sciences, physics, materials science, science history, and science policy.

Quick Guide to Manufactured Fibers

Trade names, generic names, properties, and uses. From the American Fiber Manufacturers Association.

RCSB Protein Data Bank

Research Collaboratory for Structural Bioinformatics archives protein structure data generated from X-ray crystallography and nuclear magnetic resonance.

Resources for Polymer Chemists

Tables include densities, refractive indices, and plasticizer compatabilities. From Scientific Polymer Products.

Scientific Instrument Services

Software for many makes and models of mass spectrometers. Includes wealth of mass spectroscopy information and references including resins used for packing columns, exact mass calculators, supplies, and equipment.

SCOP - Structural Classification of Proteins

Discerning evolutionary relationships of protein by similarities in their structures. From Cambridge University.

Scorecard

Search for profiles on mass-produced chemicals in the US, and receive a wealth of information concerning toxicity and regulations. From the Environmental Defense Fund.

Sigma-Aldrich

Search their database for properties of available compounds.

Smell Database

Compounds, properties, structures, and their smells.

SolvDB

Detailed solvent database from National Center for Manufacturing Sciences.

Spectral Database System

Includes mass spectra, NMR, and IR spectra of organic compounds.

Standard Reference Data Products

Collection of chemistry, biotechnology, and thermodynamics databases. From the National Institute of Standards and Technology.

Thistothat

Glues recommended for bonding one surface to another.

USGS Minerals Information

Keyword search finds data on domestic and foreign mineral production and consumption. From the US Geological Survey.

USPTO Patent Databases

From US Patent and Trademark Office. Patent information from 1976 to present is available.

Webbook of Organic Chemistry

Java images of molecular structures. From Ilkka Roininen.

2006 Chemistry Features

This is a collection of the chemistry features written for About Chemistry in 2006. Learn how mood rings work, how to make smoke bombs, make a sparkler, and grow your own crystal geode.

Explore Chemistry

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