1-Octylpiperazine

C₁₂H₂₆N₂CAS 54256-45-0198.35 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₂₆N₂
Molar mass: 198.35 g/mol
Exact mass: 198.2096 Da
logP: 2.25Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 7

Hazards

Warning

H226 Flammable liquid and vapor97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

54256-45-0

SMILES

CCCCCCCCN1CCNCC1

InChIKey

RRZDZQLIIMBIDL-UHFFFAOYSA-N

InChI

InChI=1S/C12H26N2/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h13H,2-12H2,1H3

Weigh it out

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

Work with 1-Octylpiperazine

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-Hexylpiperazine51619-55-7100 % similar 1-Decylpiperazine63207-03-4100 % similar 1-Heptylpiperazine82502-77-0100 % similar 1-Butylpiperazine5610-49-182 % similar Trihexylamine102-86-371 % similar Tridodecylamine102-87-471 % similar Trioctylamine1116-76-371 % similar Triheptylamine2411-36-171 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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