Isopropyl isocyanate (C4H7NO)

Isopropyl isocyanate presents a C4 framework (formula C4H7NO, CAS 1795-48-8). ChemicalTool Reaction can propose ranked disconnections for Isopropyl isocyanate from the SMILES CC(C)N=C=O.

Target: Isopropyl isocyanate
CAS: 1795-48-8
Formula: C4H7NO
Approx. MW: 85.11
SMILES: CC(C)N=C=O
PubChem CID: 61277
Approx. carbons: C4

Isopropyl isocyanate structure

Properties

IUPAC name: 2-isocyanatopropane
Common names: Isopropyl isocyanate; 2-Isocyanatopropane; 1795-48-8; Propane, 2-isocyanato-; Isocyanic acid, isopropyl ester; 1-methylethyl isocyanate; EINECS 217-276-5; UN2483; DTXSID3061976; Propane, 2isocyanato
Molecular weight: 85.10
Exact mass: 85.05
InChIKey: GSLTVFIVJMCNBH-UHFFFAOYSA-N

View on PubChem

Isopropyl isocyanate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isopropyl isocyanate?

Isopropyl isocyanate has molecular formula C4H7NO. Molecular weight about 85.11 g·mol⁻¹.

What is the CAS number of Isopropyl isocyanate?

The CAS Registry Number for Isopropyl isocyanate is 1795-48-8.

Run AI retrosynthesis for Isopropyl isocyanate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C4H7NO.

Related targets

Similar compounds

3-Methoxypropionitrile Acetone Cyanohydrin Methacrylamide Propyl isocyanate

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.