Diethylaluminium cyanide

C₅H₁₀AlNCAS 5804-85-3111.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₀AlN
Molar mass: 111.12 g/mol
Exact mass: 111.0629 Da
logP: 1.58Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H300 Fatal if swallowed100% of notifiers
H310 Fatal in contact with skin100% of notifiers
H330 Fatal if inhaled100% of notifiers
H400 Very toxic to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

5804-85-3

SMILES

CC[Al](CC)C#N

InChIKey

KWMUAEYVIFJZEB-UHFFFAOYSA-N

InChI

InChI=1S/2C2H5.CN.Al/c3*1-2;/h2*1H2,2H3;;

Weigh it out

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

Names and synonyms

4 names

Diethylalumanylformonitrile
(Cyano-C)diethylaluminium
Diethylaluminum cyanide
Cyanodiethylaluminum

Reactions

DIETHYLALUMINUM CYANIDE (Aluminum, cyanodiethyl-)product

Work with Diethylaluminium cyanide

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

Ethyl thiocyanate542-90-530 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook