Creatine

C4H9N3O2CAS 57-00-1131.13 g/mol

Open in Covalent MOL file
NOOHNHH2N
Carboxylic acidGuanidine

Properties

Molecular formula
C4H9N3O2
Molar mass
131.13 g/mol
Exact mass
131.0695 Da
Density
1.33 g/mL (at 25 °C)
Melting point
303 °C (decomposes)
pKa
3.8 (carboxylic acid), 12.7 (amine)
Water solubility
slightly soluble
logP
-1.10Crippen estimate
Polar surface area
90.4 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 206 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
57-00-1
SMILES
CN(CC(=O)O)C(=N)N
InChIKey
CVSVTCORWBXHQV-UHFFFAOYSA-N
InChI
InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

15 names · show all
  • Glycine, N-(aminoiminomethyl)-N-methyl-
  • N-(Aminoiminomethyl)-N-methylglycine
  • N-Methyl-N-guanylglycine
  • Methylguanidoacetic acid
  • Phosphagen
  • NSC 8752
  • Cosmocair C 100
  • Tego cosmo C 100
  • Neotine
  • Kre-alkalyn
  • [N-(Amidino)-N-methylamino]acetic acid
  • 2-(1-Methylguanidino)acetic acid
  • (N-Methyl-guanidino)-acetic acid
  • 2-[(C-Azaniumylcarbonimidoyl)-methylamino]acetate
  • 2-(N-Methylcarbamimidamido)acetic acid

Work with Creatine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Creatine monohydrate6020-87-7Hydrate Creatine hcl17050-09-8Salt Creatine pyruvate55965-97-4Salt Creatine nitrate89695-59-0Salt

Similar compounds

Glycylsarcosine29816-01-153 % similar Phosphocreatine67-07-249 % similar Dimethylglycine1118-68-947 % similar Methyliminodiacetic acid4408-64-447 % similar Lauroylsarcosine97-78-946 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-645 % similar Creatinol sulfate50648-53-843 % similar Creatinolfosfate6903-79-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Beta-Guanidinopropionic acid353-09-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia