chempirical

1,4,7,10-Tetraazacyclododecane, hydrochloride (1:4)

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

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

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

Names and synonyms

1 names
  • 1,4,7,10-Tetraazacyclododecane, tetrahydrochloride

Work with 1,4,7,10-Tetraazacyclododecane, hydrochloride (1:4)

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

Similar compounds

Piperazine hydrochloride142-64-3100 % similar Piperazine110-85-067 % similar 1,4,7-Triazacyclononane4730-54-567 % similar Polyethylenimine9002-98-667 % similar Piperidinium chloride6091-44-762 % similar Triethylenetetramine dihydrochloride38260-01-460 % similar Cuprior4961-40-460 % similar Diethanolamine hydrochloride14426-21-253 % similar

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

Elsewhere

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