rac-(1R,5S)-6-azabicyclo(3.2.0)heptan-7-one
Basic information
- CAS
39155-95-8- Standard SMILES
O=C1N[C@@H]2CCC[C@H]12- InChIKey
AXDBIGNYXNSBHV-CRCLSJGQSA-N- Molecular formula
- C6H9NO
- Average molar mass
- 111.14 g/mol
- Monoisotopic mass
- 111.06841391
Names & identifiers
- Preferred name
- rac-(1R,5S)-6-azabicyclo(3.2.0)heptan-7-one
- IUPAC
- (1S,5R)-6-azabicyclo[3.2.0]heptan-7-one
- English name
- (1S,5R)-6-azabicyclo[3.2.0]heptan-7-one
- Molecular formula
- C6H9NO
- Molecular weight
- 111.14
Names & synonyms
rac-(1R,5S)-6-azabicyclo[3.2.0]heptan-7-onerac-(1R,5S)-6-azabicyclo(3.2.0)heptan-7-oneRefChem:873240950-681-1(1S,5R)-6-AZABICYCLO[3.2.0]HEPTAN-7-ONE39155-95-8cis-6-Azabicyclo[3.2.0]heptan-7-one6-Azabicyclo[3.2.0]heptan-7-one, (1S,5R)-Rel-(1S,5R)-6-azabicyclo[3.2.0]heptan-7-oneSCHEMBL2523587DTXSID00426600EBC-54158
Show more names
CS-0130629F12974EN300-1266276Z2307158154
Database identifiers
- CAS
39155-95-8- PubChem CID
- 7010077
- DTXSID
DTXSID00426600- EC Number
- 950-681-1
- Nikkaji
- J735.562I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 289.8 · 289.8±9.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- pka
- 15.69 · 15.69±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- 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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