3-Azabicyclo[3.2.1]octan-2-one
Basic information
- CAS
16994-00-6- Standard SMILES
O=C1NCC2CCC1C2- InChIKey
VIJCSXWSAGILRP-UHFFFAOYSA-N- Molecular formula
- C7H11NO
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.08406397
Names & identifiers
- Preferred name
- 3-Azabicyclo[3.2.1]octan-2-one
- IUPAC
- 3-azabicyclo[3.2.1]octan-2-one
- English name
- 3-Azabicyclo[3.2.1]octan-2-one
- Molecular formula
- C7H11NO
- Molecular weight
- 125.17
Names & synonyms
3-Azabicyclo[3.2.1]octan-2-one16994-00-63-azabicyclo(3.2.1)octan-2-oneRefChem:497844968-220-8MFCD115025683-azabicyclo[3.2.1]octanoneSCHEMBL4994284VIJCSXWSAGILRP-UHFFFAOYSA-NRAA99400AKOS006347696DS-11787
Show more names
SY288304CS-0186768EN300-179798F517754
Database identifiers
- CAS
16994-00-6- PubChem CID
- 548825
- EC Number
- 968-220-8
- Nikkaji
- J370.559E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 173 · 173-174.5 °C
- Boiling point
- 297.4 · 297.4±9.0 °C(Predicted)
- Density
- 1.083 · 1.083±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 16.38 · 16.38±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
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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