Cyclam

C₁₀H₂₄N₄CAS 295-37-4200.33 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₀H₂₄N₄
Molar mass: 200.33 g/mol
Exact mass: 200.2001 Da
Melting point: 173 °C
logP: -0.86Crippen estimate
Polar surface area: 48.1 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H335 May cause respiratory irritation92% of notifiers

Aggregated from 50 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

295-37-4

SMILES

C1CNCCNCCCNCCNC1

InChIKey

MDAXKAUIABOHTD-UHFFFAOYSA-N

InChI

InChI=1S/C10H24N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h11-14H,1-10H2

Weigh it out

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

Names and synonyms

3 names

1,4,8,11-Tetraazacyclotetradecane
JM 1498
NSC 180811

Work with Cyclam

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

1,4,8,12-Tetraazacyclopentadecane15439-16-4100 % 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

Same formula

1,4-Bis(3′-aminopropyl)piperazine7209-38-3 Tetrakis(dimethylamino)ethylene996-70-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia