1-Azabicyclo[2.2.2]octane-4-carbonitrile

C₈H₁₂N₂CAS 26458-78-6136.20 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₈H₁₂N₂
Molar mass: 136.20 g/mol
Exact mass: 136.1000 Da
logP: 1.00Crippen estimate
Polar surface area: 27.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

26458-78-6

SMILES

C1CN2CCC1(CC2)C#N

InChIKey

CEMKLAOKVLRABO-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2/c9-7-8-1-4-10(5-2-8)6-3-8/h1-6H2

Weigh it out

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

Names and synonyms

1 names

4-Cyanoquinuclidine

Work with 1-Azabicyclo[2.2.2]octane-4-carbonitrile

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-Cyanoadamantane23074-42-236 % similar 4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile6094-60-634 % similar 1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride71258-18-932 % similar Pyrrolidine-1-propiononitrile26165-45-731 % similar 1-Pyrrolidinebutanenitrile35543-25-031 % similar 1-Hydroxycyclohexanecarbonitrile931-97-531 % similar 1-Cyanocyclohexaneacetic acid133481-09-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Tetramethylpyrazine1124-11-4 2,5-Diethylpyrazine13238-84-1 2-(4-Aminophenyl)ethylamine13472-00-9 2-Ethyl-3,5-dimethylpyrazine13925-07-0 M-Xylylenediamine1477-55-0 2,3-Diethylpyrazine15707-24-1 2,3-Dimethyl-5-ethylpyrazine15707-34-3 2-Methyl-3-propylpyrazine15986-80-8

Elsewhere

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