2-(1-Ethoxyethylidene)propanedinitrile

C₇H₈N₂OCAS 5417-82-3136.15 g/mol

Open in Covalent MOL file

Alkene Ether Nitrile

Properties

Molecular formula: C₇H₈N₂O
Molar mass: 136.15 g/mol
Exact mass: 136.0637 Da
Melting point: 91 °C
Boiling point: 120 °C (at 2 Torr)
logP: 1.34Crippen estimate
Polar surface area: 56.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H312 Harmful in contact with skin97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.6% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5417-82-3

SMILES

CCOC(C)=C(C#N)C#N

InChIKey

BOSVWXDDFBSSIZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O/c1-3-10-6(2)7(4-8)5-9/h3H2,1-2H3

Weigh it out

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

Names and synonyms

10 names

Propanedinitrile, 2-(1-ethoxyethylidene)-
Propanedinitrile, (1-ethoxyethylidene)-
Malononitrile, (1-ethoxyethylidene)-
1-Ethoxyethylidenemalononitrile
2-Cyano-3-ethoxy-3-methylacrylonitrile
α-Cyano-β-methyl-β-ethoxyacrylonitrile
NSC 11585
2-(1-Ethoxyethylidene)malononitrile
(1-Ethoxyethylidene)malonitrile
(1-Ethoxyethylidene)malononitrile

Work with 2-(1-Ethoxyethylidene)propanedinitrile

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 cyanoformate623-49-448 % similar 2-(1,3-Dioxolan-2-ylidene)propanedinitrile5694-65-544 % similar Ethyl cyanoacrylate7085-85-041 % similar Ethyl N-cyanoacetimidate1558-82-341 % similar 2-(Ethoxymethylene)propanedinitrile123-06-839 % similar Isopropylidenemalononitrile13166-10-438 % similar Ethyl cyanohydroxyiminoacetate3849-21-638 % similar Ethyl (ethoxymethylene)cyanoacetate94-05-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-methylnicotinaldehyde1023814-35-8 N′-Methylnicotinamide114-33-0 3,4-Dihydro-2H-pyrido(3,2-b)(1,4)oxazine20348-23-6 2-Acetyl-3-methylpyrazine23787-80-6 4-Aminobenzamide2835-68-9 Salicylhydrazone3291-00-7 3-Aminobenzamide3544-24-9 2-Amino-4,5-dimethylfuran-3-carbonitrile5117-88-4

Elsewhere

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