chempirical

Creatine nitrate

C4H10N4O5CAS 89695-59-0194.15 g/mol

Open in Covalent MOL file
NOOHNHH2NN+OHOO−
Carboxylic acidGuanidineNitro

Properties

Molecular formula
C4H10N4O5
Molar mass
194.15 g/mol
Exact mass
194.0651 Da
logP
-1.45Crippen estimate
Polar surface area
153.8 Ų
H-bond donors / acceptors
4 / 4
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
89695-59-0
SMILES
CN(CC(=O)O)C(=N)N.[N+](=O)(O)[O-]
InChIKey
MBSCHHMCRIMBDZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H9N3O2.HNO3/c1-7(4(5)6)2-3(8)9;2-1(3)4/h2H2,1H3,(H3,5,6)(H,8,9);(H,2,3,4)

Weigh it out

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

Work with Creatine nitrate

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 hcl17050-09-8Salt Creatine pyruvate55965-97-4Salt

Similar compounds

Urea nitrate124-47-044 % similar Guanidine nitrate506-93-443 % similar Aminoguanidine nitrate10308-82-441 % similar Glycylsarcosine29816-01-141 % similar Phosphocreatine67-07-239 % similar Creatine phosphate disodium salt hexahydrate19333-65-438 % similar Lauroylsarcosine97-78-937 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-635 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook