Butyl nitrite (C4H9NO2)

Butyl nitrite presents a C4 framework (formula C4H9NO2, CAS 544-16-1). ChemicalHelper Reaction can propose ranked disconnections for Butyl nitrite from the SMILES CCCCON=O.

Target: Butyl nitrite
CAS: 544-16-1
Formula: C4H9NO2
Approx. MW: 103.12
SMILES: CCCCON=O
PubChem CID: 10996
Approx. carbons: C4

Butyl nitrite structure

Properties

IUPAC name: butyl nitrite
Common names: Butyl nitrite; 544-16-1; N-BUTYL NITRITE; Nitrous acid, butyl ester; 44P8QG0F3T; NSC-8426; RefChem:829371; 208-862-1; 1-Butyl nitrite; Nitrous Acid Butyl Ester
Molecular weight: 103.12
Exact mass: 103.06
InChIKey: JQJPBYFTQAANLE-UHFFFAOYSA-N

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Butyl nitrite 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Butyl nitrite?

Butyl nitrite has molecular formula C4H9NO2. Molecular weight about 103.12 g·mol⁻¹.

What is the CAS number of Butyl nitrite?

The CAS Registry Number for Butyl nitrite is 544-16-1.

Run AI retrosynthesis for Butyl nitrite Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C4H9NO2.

Related targets

Similar compounds

2-Aminobutyric acid 2-Aminoisobutyric acid 3-Aminoisobutyric acid dimethylglycine Ethyl glycinate gamma-aminobutyric acid

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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.