Adiponitrile (C6H8N2)

Looking for routes to Adiponitrile? Adiponitrile presents a C6 framework, basic nitrogen. Use the planner with prefilled SMILES, or copy N#CCCCCC#N (CAS 111-69-3).

Target: Adiponitrile
CAS: 111-69-3
Formula: C6H8N2
Approx. MW: 108.14
SMILES: N#CCCCCC#N
PubChem CID: 8128
Approx. carbons: C6

Adiponitrile structure

Properties

IUPAC name: hexanedinitrile
Common names: ADIPONITRILE; Hexanedinitrile; 1,4-Dicyanobutane; 111-69-3; Adipodinitrile; Adipyldinitrile; Adipic acid dinitrile; Nitrile adipico; Tetramethylene dicyanide; Tetramethylene cyanide
Molecular weight: 108.14
Exact mass: 108.07
InChIKey: BTGRAWJCKBQKAO-UHFFFAOYSA-N
Melting point: 36.1 °F (EPA, 1998)
Boiling point: 563 °F at 760 mmHg (EPA, 1998)
Density: 0.965 at 68 °F (EPA, 1998) - Less dense than water; will float

View on PubChem

Adiponitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Adiponitrile?

Adiponitrile has molecular formula C6H8N2. Molecular weight about 108.14 g·mol⁻¹.

What is the CAS number of Adiponitrile?

The CAS Registry Number for Adiponitrile is 111-69-3.

Run AI retrosynthesis for Adiponitrile Target catalog AI tools overview

Open the planner with Adiponitrile preloaded, then keep routes that match CAS 111-69-3.

Related targets

Similar compounds

2-Amino-3-methylpyridine 2-amino-4-methylpyridine 2-Amino-6-methylpyridine 3-Amino-4-picoline m-Phenylenediamine O-Phenylenediamine

Browse the full target catalog

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.