Basic information
- CAS
914780-95-3- Standard SMILES
O=C1CC2(CCC3(CC2)OCCO3)CN1- InChIKey
NUPNYQFGLIQQGM-UHFFFAOYSA-N- Molecular formula
- C11H17NO3
- Average molar mass
- 211.26 g/mol
Names & identifiers
- Preferred name
- 1,4-Dioxa-10-azadispiro[4.2.4^{8}.2^{5}]tetradecan-11-one
- IUPAC
- 9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-2-one
- English name
- 1,4-dioxa-10-azadispiro[4.2.4.2]tetradecan-11-one
- Molecular formula
- C11H17NO3
- Molecular weight
- 211.26
Names & synonyms
914780-95-31,4-dioxa-10-azadispiro[4.2.4^{8}.2^{5}]tetradecan-11-one1,4-dioxa-10-azadispiro(4.2.4^(8).2^(5))tetradecan-11-oneRefChem:416886869-725-51,4-Dioxa-10-azadispiro[4.2.4.2]tetradecan-11-one1,4-dioxa-10-aza-dispiro[4.2.4.2]tetradecan-11-oneMFCD245662891,4-dioxa-10-azadispiro[4.2.4?.2?]tetradecan-11-one9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-2-one1,4-Dioxa-10-azadispiro[4.2.48.25]tetradecan-11-oneSCHEMBL2106275
Show more names
1,4-Dioxaspiro[4.2.4.2]tetradecane-10-one
WLZ3072NUPNYQFGLIQQGM-UHFFFAOYSA-NPLB78095AKOS026676539AB89972AS-76219DB-132415CS-0046825
Database identifiers
- CAS
914780-95-3- PubChem CID
- 57795414
- EC Number
- 869-725-5
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 424.6 · 424.6±45.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 16.34 · 16.34±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses1,4-Dioxa-10-azadispiro[4.2.4.2]tetradecan-11-one is used as a reactant in the preparation of substituted aminothiophenecarboxylic acids and their used in the treatment and prevention of Flavivirus infection.
Suppliers24 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
宁波苯康基石医药科技有限公司15990591583
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
上海太氟医药科技有限公司13524951390 18930958102 · [email protected]
Related reactions
9 records
Compound notes
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