1-Butylpiperazine

C8H18N2CAS 5610-49-1142.25 g/mol

Open in Covalent MOL file
NNH
Secondary amineTertiary amine

Properties

Molecular formula
C8H18N2
Molar mass
142.25 g/mol
Exact mass
142.1470 Da
logP
0.69Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
5610-49-1
SMILES
CCCCN1CCNCC1
InChIKey
YKSVXVKIYYQWBB-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2/c1-2-3-6-10-7-4-9-5-8-10/h9H,2-8H2,1H3

Weigh it out

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

Work with 1-Butylpiperazine

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-Hexylpiperazine51619-55-782 % similar 1-Octylpiperazine54256-45-082 % similar 1-Decylpiperazine63207-03-482 % similar 1-Heptylpiperazine82502-77-082 % similar 1-Propylpiperazine21867-64-171 % similar Tributylamine102-82-968 % similar 1-[2-(Dipropylamino)ethyl]piperazine496808-01-668 % similar 1-Butylpyrrolidine767-10-265 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1-Methylethyl)-4-piperidinamine127285-08-9 2-(1-Methylpiperidin-4-yl)ethanamine20845-38-9 4-(Pyrrolidin-1-yl)butan-1-amine24715-90-0 1,4-Cyclohexanedimethanamine2549-93-1 1,3-BAC2579-20-6 1-(Butan-2-yl)piperazine34581-21-0 Piperidine-1-propylamine3529-08-6 1-tert-Butylpiperazine38216-72-7

Elsewhere

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