Cyclen

C₈H₂₀N₄CAS 294-90-6172.28 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₈H₂₀N₄
Molar mass: 172.28 g/mol
Exact mass: 172.1688 Da
Melting point: 110–113 °C
logP: -1.64Crippen estimate
Polar surface area: 48.1 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, P501

Identifiers

CAS number

294-90-6

SMILES

C1CNCCNCCNCCN1

InChIKey

QBPPRVHXOZRESW-UHFFFAOYSA-N

InChI

InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2

Weigh it out

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

Names and synonyms

4 names

1,4,7,10-Tetraazacyclododecane
Tetraaza-12-crown-4
NSC 629374
1,4,7,10-Tetrazacyclododecane

Reactions

1,4,7,10-Tetraazacyclododecaneproduct

Work with Cyclen

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

Piperazine110-85-0100 % similar 1,4,7-Triazacyclononane4730-54-5100 % similar Polyethylenimine9002-98-6100 % similar 1,4,7,10-Tetraazacyclododecane, hydrochloride (1:4)10045-25-767 % similar Arpezine142-63-267 % similar Piperazine hydrochloride142-64-367 % similar Cyclam295-37-467 % similar 1,4-Diazacycloheptane505-66-867 % similar

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

Same formula

1,4-Piperazinediethanamine6531-38-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia