1,4,7-Triazacyclononane trihydrochloride

C₆H₁₈Cl₃N₃CAS 58966-93-1238.58 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₆H₁₈Cl₃N₃
Molar mass: 238.58 g/mol
Exact mass: 237.0566 Da
logP: 0.03Crippen estimate
Polar surface area: 36.1 Å²
H-bond donors / acceptors: 3 / 3
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

58966-93-1

SMILES

C1CNCCNCCN1.Cl.Cl.Cl

InChIKey

HNPMVNQYFPWBKI-UHFFFAOYSA-N

InChI

InChI=1S/C6H15N3.3ClH/c1-2-8-5-6-9-4-3-7-1;;;/h7-9H,1-6H2;3*1H

Weigh it out

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

Work with 1,4,7-Triazacyclononane trihydrochloride

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.

1,4,7-Triazacyclononane4730-54-5Free base

Similar compounds

Cyclen tetrahydrochloride10045-25-7100 % similar Piperazine hydrochloride142-64-3100 % similar Piperazine110-85-067 % similar Aziridine151-56-467 % similar Cyclen294-90-667 % similar Azetidine hydrochloride36520-39-567 % similar Polyethylenimine9002-98-667 % similar Piperidinium chloride6091-44-762 % similar

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

Elsewhere

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