1-{1,4-Diazaspiro[5.5]undecan-1-yl}ethan-1-one
Basic information
- CAS
1423941-23-4- Standard SMILES
CC(=O)N1CCNCC12CCCCC2- InChIKey
PEEIBWAJAKHQBD-UHFFFAOYSA-N- Molecular formula
- C11H20N2O
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.15756327
Names & identifiers
- Preferred name
- 1-{1,4-Diazaspiro[5.5]undecan-1-yl}ethan-1-one
- IUPAC
- 1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone
Names & synonyms
1-{1,4-diazaspiro[5.5]undecan-1-yl}ethan-1-one1423941-23-41-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone1-(1,4-Diazaspiro[5.5]undecan-1-yl)ethan-1-oneCHEMBL4589540YGC94123AKOS014305629CS-0225197EN300-123091Z1552005120
Database identifiers
- CAS
1423941-23-4- PubChem CID
- 64975321
- ChEMBL
CHEMBL4589540- EC Number
- 183-837-5
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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