chempirical

Cyclen tetrahydrochloride

C8H24Cl4N4CAS 10045-25-7318.11 g/mol

Open in Covalent MOL file
NHNHHNHNHClHClHClHCl
Secondary amine

Properties

Molecular formula
C8H24Cl4N4
Molar mass
318.11 g/mol
Exact mass
316.0755 Da
logP
0.05Crippen estimate
Polar surface area
48.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

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
10045-25-7
SMILES
C1CNCCNCCNCCN1.Cl.Cl.Cl.Cl
InChIKey
SBWLCGZEBQGYRP-UHFFFAOYSA-N
InChI
InChI=1S/C8H20N4.4ClH/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;;/h9-12H,1-8H2;4*1H

Weigh it out

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

Names and synonyms

2 names
  • 1,4,7,10-Tetraazacyclododecane, hydrochloride (1:4)
  • 1,4,7,10-Tetraazacyclododecane, tetrahydrochloride

Work with Cyclen tetrahydrochloride

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.

Cyclen294-90-6Free base

Similar compounds

Piperazine hydrochloride142-64-3100 % similar 1,4,7-Triazacyclononane trihydrochloride58966-93-1100 % similar Piperazine110-85-067 % similar Aziridine151-56-467 % similar Azetidine hydrochloride36520-39-567 % similar 1,4,7-Triazacyclononane4730-54-567 % similar Polyethylenimine9002-98-667 % similar Piperidinium chloride6091-44-762 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook