Isocapronitrile (C6H11N)

Isocapronitrile (C6H11N; CAS 542-54-1) is a practical retrosynthesis target. Isocapronitrile presents a C6 framework, basic nitrogen. Open AI route search in one click below.

Target: Isocapronitrile
CAS: 542-54-1
Formula: C6H11N
Approx. MW: 97.16
SMILES: CC(C)CCC#N
PubChem CID: 10956
Approx. carbons: C6

Isocapronitrile structure

Properties

IUPAC name: 4-methylpentanenitrile
Common names: Isocapronitrile; 4-Methylpentanenitrile; 542-54-1; Isoamyl cyanide; Pentanenitrile, 4-methyl-; UNII-J6BD44GTPJ; J6BD44GTPJ; EINECS 208-817-6; BRN 1698246; 3-Methylbutyl cyanide
Molecular weight: 97.16
Exact mass: 97.09
InChIKey: DUJMVKJJUANUMQ-UHFFFAOYSA-N

View on PubChem

Isocapronitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isocapronitrile?

Isocapronitrile has molecular formula C6H11N. Molecular weight about 97.16 g·mol⁻¹.

What is the CAS number of Isocapronitrile?

The CAS Registry Number for Isocapronitrile is 542-54-1.

Run AI retrosynthesis for Isocapronitrile Target catalog AI tools overview

One click loads Isocapronitrile into ChemicalHelper Reaction for route exploration.

Related targets

Similar compounds

Hexanenitrile (1-Aminocyclopentyl)methanol (3R)-3-aminoazepan-2-one (Butylamino)acetonitrile 1-Cyanoallyl acetate 1-Ethyl-2-Pyrrolidinone

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References & tools

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