1-Hexylpiperazine

C₁₀H₂₂N₂CAS 51619-55-7170.30 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₂₂N₂
Molar mass: 170.30 g/mol
Exact mass: 170.1783 Da
logP: 1.47Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

Hazards

Warning

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

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

51619-55-7

SMILES

CCCCCCN1CCNCC1

InChIKey

WRFUXAYDZDQDKY-UHFFFAOYSA-N

InChI

InChI=1S/C10H22N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h11H,2-10H2,1H3

Weigh it out

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

Names and synonyms

1 names

1-(1-Hexyl)-piperazine

Work with 1-Hexylpiperazine

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-Octylpiperazine54256-45-0100 % 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

Same formula

Isophorone diamine2855-13-2 4-Aminomethyl-1-N-butylpiperidine65017-57-4 1,8-Diamino-p-menthane80-52-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook