Acetone cyanohydrin (C4H7NO)

Acetone Cyanohydrin presents a C4 framework, basic nitrogen (formula C4H7NO, CAS 75-86-5). ChemicalTool Reaction can propose ranked disconnections for Acetone Cyanohydrin from the SMILES CC(C)(O)C#N.

Target: Acetone cyanohydrin
CAS: 75-86-5
Formula: C4H7NO
Approx. MW: 85.11
SMILES: CC(C)(O)C#N
PubChem CID: 6406
Approx. carbons: C4

Acetone cyanohydrin structure

Properties

IUPAC name: 2-hydroxy-2-methylpropanenitrile
Common names: ACETONE CYANOHYDRIN; 2-Hydroxy-2-methylpropanenitrile; 75-86-5; Acetone cyanhydrin; 2-Hydroxyisobutyronitrile; 2-Methyllactonitrile; 2-Cyano-2-propanol; alpha-Hydroxyisobutyronitrile; Acetoncyanhydrin; 2-Cyano-2-hydroxypropane
Molecular weight: 85.10
Exact mass: 85.05
InChIKey: MWFMGBPGAXYFAR-UHFFFAOYSA-N
Melting point: -2.2 °F (EPA, 1998)
Boiling point: 180 °F at 23 mmHg (EPA, 1998)
Density: 0.9267 at 77 °F (EPA, 1998) - Less dense than water; will float

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Acetone cyanohydrin 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Acetone cyanohydrin?

Acetone cyanohydrin has molecular formula C4H7NO. Molecular weight about 85.11 g·mol⁻¹.

What is the CAS number of Acetone cyanohydrin?

The CAS Registry Number for Acetone cyanohydrin is 75-86-5.

Run AI retrosynthesis for Acetone cyanohydrin Target catalog AI tools overview

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Related targets

Similar compounds

3-Methoxypropionitrile Methacrylamide (2-Chloroethyl)dimethylamine (2-methoxyethyl)(methyl)amine (3-Aminopropyl)methylamine 2-(2-aminoethoxy)ethanamine

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.