Tert-butyl 5-formyl-6-azaspiro[2.5]octane-6-carboxylate

HCID 86664865

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Basic information

CAS: 1260527-33-0
Standard SMILES: CC(C)(C)OC(=O)N1CCC2(CC2)CC1C=O
InChIKey: BABYBNKBVQWOOY-UHFFFAOYSA-N
Molecular formula: C13H21NO3
Average molar mass: 239.31 g/mol

Names & identifiers

Preferred name: Tert-butyl 5-formyl-6-azaspiro[2.5]octane-6-carboxylate
IUPAC: tert-butyl 7-formyl-6-azaspiro[2.5]octane-6-carboxylate

Names & synonyms

1260527-33-0tert-butyl 5-formyl-6-azaspiro[2.5]octane-6-carboxylate(S)-tert-Butyl 5-formyl-6-azaspiro[2.5]octane-6-carboxylate(+-) tert-butyl 5-formyl-6-azaspiro[2.5]octane-6-carboxylateSCHEMBL934646BABYBNKBVQWOOY-UHFFFAOYSA-NMAC39636AT36005SB49506DB-361790(+/-) tert-butyl 5-formyl-6-azaspiro [2.5]octane-6-carboxylate(+/-) tert-butyl 5-formyl-6-azaspiro[2.5]octane-6-carboxylate

Database identifiers

CAS: 1260527-33-0
PubChem CID: 86664865
EC Number: 183-333-5

Properties

Computed structural propertiesFilling in

XLogP: 2.1
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 328

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.