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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 10:11, 6 December 2011 (Saving copy of the {{chembox}} taken from revid 464210191 of page Creatine for the Chem/Drugbox validation project (updated: 'ChEBI').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 10:11, 6 December 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 464210191 of page Creatine for the Chem/Drugbox validation project (updated: 'ChEBI').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 464210191 of page Creatine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Skeletal formula of zwitterionic creatine
Skeletal formula of zwitterionic creatine
Spacefill model of zwitterionic creatine
Spacefill model of zwitterionic creatine
Names
IUPAC name 2-(Methylguanidino)ethanoic acid
Systematic IUPAC name 2-(1-Methylcarbamimidamido)acetic acid
Other names Creatin

Kreatin

(α-Methylguanido)acetic acid
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 907175
ChEBI
ChEMBL
ChemSpider
DrugBank
EC Number
  • 200-306-6
Gmelin Reference 240513
KEGG
MeSH Creatine
PubChem CID
RTECS number
  • MB7706000
UNII
InChI
  • InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)Key: CVSVTCORWBXHQV-UHFFFAOYSA-N
  • InChI=1/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)Key: CVSVTCORWBXHQV-UHFFFAOYAV
SMILES
  • CN(CC(O)=O)C(N)=N
  • /N=C(\N)/N(C)CC(=O)O
Properties
Chemical formula C4H9N3O2
Molar mass 131.135 g·mol
Density 1.3 (monohydrate),
Melting point 255 °C (491 °F; 528 K)
Solubility in water 13.3 g dm (at 18 °C)
Solubility non-soluble in ethanol and ether
log P -0.2
Acidity (pKa) 3.429
Basicity (pKb) 10.568
Isoelectric point 8.47
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. www.sciencelab.com/msds.php?msdsId=9923566
  2. http://chemyq.com/en/xz/xz1/9019vbolx.htm