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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57798310Generated: November 3, 2026

Tert-butyl 3-cyano-3-(pyridin-2-yl)azetidine-1-carboxylate

https://huagongshe.com/en/chemical/57798310

Tert-butyl 3-cyano-3-(pyridin-2-yl)azetidine-1-carboxylate molecular structure

Identifiers & Physical Properties

CAS No.869811-51-8
Molecular formulaC14H17N3O2
Average molar mass259.3 g/mol
SMILESCC(C)(C)OC(=O)N1CC(C#N)(c2ccccn2)C1
InChIKeyZNOXLVUEDTYMGN-UHFFFAOYSA-N
PubChem CID57798310
EC No.994-915-0

Chemical & Physical Properties

XLogP1.1
Topological polar surface area66.2
Hydrogen bond donors0
Hydrogen bond acceptors4
Rotatable bonds3
Heavy atoms19
Formal charge0
Complexity399

Safety & Regulations

GHS classificationWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)