Creatine monohydrate

C₄H₁₁N₃O₃CAS 6020-87-7149.15 g/mol

Open in Covalent MOL file

Carboxylic acid Guanidine

Properties

Molecular formula: C₄H₁₁N₃O₃
Molar mass: 149.15 g/mol
Exact mass: 149.0800 Da
logP: -1.93Crippen estimate
Polar surface area: 121.9 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation30.6% of notifiers
H319 Causes serious eye irritation30.6% of notifiers
H335 May cause respiratory irritation29.9% of notifiers

Aggregated from 147 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

6020-87-7

SMILES

CN(CC(=O)O)C(=N)N.O

InChIKey

MEJYXFHCRXAUIL-UHFFFAOYSA-N

InChI

InChI=1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2

Weigh it out

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

Names and synonyms

4 names

Creatine, monohydrate
Glycine, N-(aminoiminomethyl)-N-methyl-, hydrate (1:1)
Glycine, N-(aminoiminomethyl)-N-methyl-, monohydrate
Creapure

Work with Creatine monohydrate

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.

Creatine57-00-1Anhydrous Creatine hcl17050-09-8Salt Creatine pyruvate55965-97-4Salt Creatine nitrate89695-59-0Salt

Similar compounds

Glycylsarcosine29816-01-149 % similar Creatine phosphate disodium salt hexahydrate19333-65-447 % similar Phosphocreatine67-07-245 % similar Lauroylsarcosine97-78-943 % similar Dimethylglycine1118-68-942 % similar Methyliminodiacetic acid4408-64-442 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-641 % similar Creatinol sulfate50648-53-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook