chempirical

1,4,7-Triazacyclononane

C6H15N3CAS 4730-54-5129.21 g/mol

Open in Covalent MOL file
NHNHHN
Secondary amine

Properties

Molecular formula
C6H15N3
Molar mass
129.21 g/mol
Exact mass
129.1266 Da
Melting point
62 °C
logP
-1.23Crippen estimate
Polar surface area
36.1 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
4730-54-5
SMILES
C1CNCCNCCN1
InChIKey
ITWBWJFEJCHKSN-UHFFFAOYSA-N
InChI
InChI=1S/C6H15N3/c1-2-8-5-6-9-4-3-7-1/h7-9H,1-6H2

Weigh it out

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

Names and synonyms

5 names
  • 1H-1,4,7-Triazonine, octahydro-
  • Octahydro-1H-1,4,7-triazonine
  • NSC 681101
  • 1,4,7-Triazonane
  • TACN

Work with 1,4,7-Triazacyclononane

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-Triazacyclononane trihydrochloride58966-93-1Salt

Similar compounds

Piperazine110-85-0100 % similar Aziridine151-56-4100 % similar Cyclen294-90-6100 % similar Polyethylenimine9002-98-6100 % similar Cyclen tetrahydrochloride10045-25-767 % similar Arpezine142-63-267 % similar Piperazine hydrochloride142-64-367 % similar 1,4,8,12-Tetraazacyclopentadecane15439-16-467 % similar

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

Same formula

1,3,5-Trimethyl-1,3,5-triazinane108-74-7 Aminoethylpiperazine140-31-8

Elsewhere

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