1-tert-Butylpiperazine

C₈H₁₈N₂CAS 38216-72-7142.25 g/mol

Open in Covalent MOL file

Secondary amine Tertiary 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage97.8% of notifiers
H400 Very toxic to aquatic life97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, P501

Identifiers

CAS number

38216-72-7

SMILES

CC(C)(C)N1CCNCC1

InChIKey

PVMNSAIKFPWDQG-UHFFFAOYSA-N

InChI

InChI=1S/C8H18N2/c1-8(2,3)10-6-4-9-5-7-10/h9H,4-7H2,1-3H3

Weigh it out

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

Work with 1-tert-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

tert-Butyldiethanolamine2160-93-248 % similar Methylpiperazine109-01-341 % similar 1-(1-Adamantyl)piperazine19984-46-441 % similar 1-Cyclopropylpiperazine20327-23-539 % similar 1-Ethylpiperazine5308-25-838 % similar 1-Cyclopentylpiperazine21043-40-336 % similar 1-Propylpiperazine21867-64-136 % similar 1-Methylpiperazine dihydrochloride34352-59-536 % 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-Propylpiperidin-4-amine42389-59-3

Elsewhere

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