4-Methylbenzyl cyanide (C9H9N)

4-Methylbenzyl cyanide presents a C9 framework, aromatic rings, basic nitrogen (formula C9H9N, CAS 2947-61-7). ChemicalTool Reaction can propose ranked disconnections for 4-Methylbenzyl cyanide from the SMILES Cc1ccc(CC#N)cc1.

Target: 4-Methylbenzyl cyanide
CAS: 2947-61-7
Formula: C9H9N
Approx. MW: 131.18
SMILES: Cc1ccc(CC#N)cc1
PubChem CID: 76280
Approx. carbons: C9

4-Methylbenzyl cyanide structure

Properties

Molecular weight: 131.18

View on PubChem

4-Methylbenzyl cyanide 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Methylbenzyl cyanide?

4-Methylbenzyl cyanide has molecular formula C9H9N. Molecular weight about 131.18 g·mol⁻¹.

What is the CAS number of 4-Methylbenzyl cyanide?

The CAS Registry Number for 4-Methylbenzyl cyanide is 2947-61-7.

Run AI retrosynthesis for 4-Methylbenzyl cyanide Target catalog AI tools overview

One click loads 4-Methylbenzyl cyanide into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

2-Phenylpropionitrile Unii-6s215f38ok (S)-adrenaline 1,2,3,4-tetrahydroquinoline 2-Amino-6-Ethoxybenzothiazole 2-Isopropylaniline

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.