Creatine hcl

C₄H₁₀ClN₃O₂CAS 17050-09-8167.59 g/mol

Open in Covalent MOL file

Carboxylic acid Guanidine

Properties

Molecular formula: C₄H₁₀ClN₃O₂
Molar mass: 167.59 g/mol
Exact mass: 167.0462 Da
logP: -0.68Crippen estimate
Polar surface area: 90.4 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

17050-09-8

SMILES

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

InChIKey

DGOAYHVIVJYHKU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with Creatine hcl

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.

Creapure6020-87-7Hydrate Creatine57-00-1Free base Creatine nitrate89695-59-0Salt Creatine pyruvate55965-97-4Salt

Similar compounds

Dimethylglycine hydrochloride2491-06-752 % similar Glycylsarcosine29816-01-149 % similar Phosphocreatine67-07-245 % similar Carboxymethoxylamine hemihydrochloride2921-14-443 % similar Lauroylsarcosine97-78-943 % similar Dimethylglycine1118-68-942 % similar Methyliminodiacetic acid4408-64-442 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-641 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook