1,4-Dioxa-8-azaspiro(4.5)decane
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Basic information
- CAS
177-11-7- Standard SMILES
C1CC2(CCN1)OCCO2- InChIKey
KPKNTUUIEVXMOH-UHFFFAOYSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Names & identifiers
- Preferred name
- 1,4-Dioxa-8-azaspiro(4.5)decane
- IUPAC
- 1,4-dioxa-8-azaspiro[4.5]decane
- English name
- 1,4-Dioxa-8-azaspiro[4.5]decane
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
1,4-Dioxa-8-azaspiro[4.5]decane177-11-71,4-Dioxa-8-azaspiro(4.5)decaneEINECS 205-868-6DTXSID801702351,4-dioxa-8-azaspiro{4.5}decaneRefChem:416889DTXCID2092726205-868-64-Piperidone ethylene ketal4-Piperidinone ethyl ketal4-Piperidone ethylene acetal
Show more names
8-Aza-1,4-dioxaspiro[4.5]decaneAKOS BBS-00003616Pibrentasvir Impurity 18PIPERIDONE 4-ETHYLENEKETAL4-Piperidone ethylene glycol4,4-(Ethylenedioxy)piperidine4-PIPERIDINONE ETHYLENE KETAL
1,4-Dioxa-8-azaspiro[4,5]decaneMFCD00005976PIPERIDIN-4-ONE ETHYLENE KETALPiperidone-4-ethyleneketal1,4-dioxa-8-aza-spiro[4.5]decane1,4-dioxa-8-azaspiro(4,5)decane1,4-dioxa-8-aza-spiro{4.5}decane4-Piperidone-ethylene ketal
Database identifiers
- CAS
177-11-7- PubChem CID
- 67435
- DTXSID
DTXSID80170235- ChEMBL
CHEMBL3344301- UNII
- Y7C9AGJ739
- EC Number
- 205-868-6
- Nikkaji
- J193.664F
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Boiling point
- 108 · 108-111 °C26 mm Hg(lit.)
- Density
- 1.117 g/mL · 1.117 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.4819(lit.)
- Flash point
- 179 °F · 179 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DCM, Ethyl Acetate, Methanol
- form
- Liquid
- pka
- 10.92 · 10.92±0.20(Predicted)
- color
- Clear colorless to yellow
- Water Solubility
- Soluble in water (Partly miscible).
- Sensitive
- Air Sensitive
- BRN
- 506799 · 506799
- InChI
- InChI=1S/C7H13NO2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2
- InChIKey
- KPKNTUUIEVXMOH-UHFFFAOYSA-N
- SMILES
- O1C2(CCNCC2)OCC1
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
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)
Aggregated GHS information provided per 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-34
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-24/25
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
UsesPiperidin-4-one Ethylene Ketal is a derivative formed from the condensation of cyclohexanone.
Uses1,4-Dioxa-8-azaspiro[4.5]decane was used in the synthesis of 1,4-dioxa-8-azaspiro [4,5] deca spirocyclotriphosphazenes.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
407 records
Compound notes
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