1,4,8,12-Tetraazacyclopentadecane

C₁₁H₂₆N₄CAS 15439-16-4214.36 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₁H₂₆N₄
Molar mass: 214.36 g/mol
Exact mass: 214.2157 Da
logP: -0.47Crippen estimate
Polar surface area: 48.1 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15439-16-4

SMILES

C1CNCCCNCCNCCCNC1

InChIKey

KUFDRRWNPNXBRF-UHFFFAOYSA-N

InChI

InChI=1S/C11H26N4/c1-4-12-6-2-8-14-10-11-15-9-3-7-13-5-1/h12-15H,1-11H2

Weigh it out

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

Work with 1,4,8,12-Tetraazacyclopentadecane

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

Cyclam295-37-4100 % similar 1,4-Diazacycloheptane505-66-8100 % similar Azetidine503-29-789 % similar Pyrrolidine123-75-170 % similar Piperazine110-85-067 % similar Aziridine151-56-467 % similar Cyclen294-90-667 % similar Azetidine hydrochloride36520-39-567 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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