1-Allylpiperazine

C₇H₁₄N₂CAS 13961-36-9126.20 g/mol

Open in Covalent MOL file

Alkene Secondary amine Tertiary amine

Properties

Molecular formula: C₇H₁₄N₂
Molar mass: 126.20 g/mol
Exact mass: 126.1157 Da
logP: 0.08Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor97.8% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

13961-36-9

SMILES

C=CCN1CCNCC1

InChIKey

ZWAQJGHGPPDZSF-UHFFFAOYSA-N

InChI

InChI=1S/C7H14N2/c1-2-5-9-6-3-8-4-7-9/h2,8H,1,3-7H2

Weigh it out

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

Work with 1-Allylpiperazine

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

Triallylamine102-70-555 % similar 1-[2-(1-Pyrrolidinyl)ethyl]piperazine22763-69-542 % similar 1-(2-Piperidinoethyl)piperazine22763-65-140 % similar 1-Ethylpiperazine5308-25-840 % similar 1-Cinnamylpiperazine18903-01-039 % similar trans-1-Cinnamylpiperazine87179-40-639 % similar 1-Piperazineethanol103-76-438 % similar Aminoethylpiperazine140-31-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-1H-hexahydropyrrolo[3,4-B]pyrrole132414-59-6 (4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-40-0 (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-42-2 1-Cyclopropylpiperazine20327-23-5 3-[(1,1-Dimethylethyl)amino]propanenitrile21539-53-7 1,4-Diazobicylco[3.2.2]nonane283-38-5 N-Amino-3-azabicyclo[3.3.0]octane54528-00-6 N,N′-Diisopropylcarbodiimide693-13-0

Elsewhere

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