1-Azaspiro[2.5]octane
Basic information
- CAS
185-69-3- Standard SMILES
C1CCC2(CC1)CN2- InChIKey
CBLWNEBYJOYFFX-UHFFFAOYSA-N- Molecular formula
- C7H13N
- Average molar mass
- 111.18 g/mol
- Monoisotopic mass
- 111.10479942
Names & identifiers
- Preferred name
- 1-Azaspiro[2.5]octane
- IUPAC
- 1-azaspiro[2.5]octane
- English name
- 1-Azaspiro[2.5]octane
- Molecular formula
- C7H13N
- Molecular weight
- 111.18
Names & synonyms
1-Azaspiro[2.5]octane185-69-3NSC145089SCHEMBL1037990SCHEMBL2224647SCHEMBL10975406DTXSID20301642AKOS006352494NSC-145089DB-226187EN300-640715
Database identifiers
- CAS
185-69-3- PubChem CID
- 286599
- DTXSID
DTXSID20301642- EC Number
- 155-634-1
- Nikkaji
- J79.473B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 21.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 92.6
Physicochemical properties
- Boiling point
- 158 · 158-159 °C
- Density
- 0.96 · 0.96±0.1 g/cm3(Predicted)
- pka
- 8.43 · 8.43±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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