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Basic information
- CAS
869811-51-8- Standard SMILES
CC(C)(C)OC(=O)N1CC(C#N)(c2ccccn2)C1- InChIKey
ZNOXLVUEDTYMGN-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2
- Average molar mass
- 259.3 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-cyano-3-(pyridin-2-yl)azetidine-1-carboxylate
- IUPAC
- tert-butyl 3-cyano-3-pyridin-2-ylazetidine-1-carboxylate
Names & synonyms
869811-51-8tert-butyl 3-cyano-3-(pyridin-2-yl)azetidine-1-carboxylateRefChem:893299994-915-0tert-butyl 3-cyano-3-pyridin-2-ylazetidine-1-carboxylateSCHEMBL3886709tert-butyl3-cyano-3-(pyridin-2-yl)azetidine-1-carboxylateZNOXLVUEDTYMGN-UHFFFAOYSA-NEN300-658999
Database identifiers
- CAS
869811-51-8- PubChem CID
- 57798310
- EC Number
- 994-915-0
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (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 information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
7 records
Compound notes
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