7-Azabicyclo[4.2.0]octan-8-one
Basic information
- CAS
34102-49-3- Standard SMILES
O=C1NC2CCCCC12- InChIKey
SQHJLZVUXVHXKC-UHFFFAOYSA-N- Molecular formula
- C7H11NO
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.08406397
Names & identifiers
- Preferred name
- 7-Azabicyclo[4.2.0]octan-8-one
- IUPAC
- 7-azabicyclo[4.2.0]octan-8-one
- English name
- 7-Azabicyclo[4.2.0]octan-8-one
- Molecular formula
- C7H11NO
- Molecular weight
- 125.17
Names & synonyms
7-Azabicyclo[4.2.0]octan-8-one34102-49-3285560-98-7cis-7-azabicyclo[4.2.0]octan-8-one(+/-)-7-Azabicyclo[4.2.0]octan-8-on(1R,6S)-7-azabicyclo[4.2.0]octan-8-oneSCHEMBL774979SQHJLZVUXVHXKC-UHFFFAOYSA-N874292-57-6ALBB-033941STR061087-Azabicyclo[4,2,0]octan-8-one
Show more names
7-Azabicyclo[4.2.0]octan-8-one,98%
MFCD01863278MFCD19216947AKOS0062205167-Azabicyclo[4.2.0]octan-8-one #SY205653DB-013171CS-0139602EN300-104021
Database identifiers
- CAS
34102-49-3- PubChem CID
- 549080
- EC Number
- 106-123-7
- Nikkaji
- J2.105.387B
Properties
Computed structural properties
- XLogP
- 0.7
- 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
- 48 · 48-50 °C
- Boiling point
- 232.64 °C · 232.64°C (rough estimate)
- Density
- 1.0459 · 1.0459 (rough estimate)
- refractive index
- 1.4693 · 1.4693 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- Powder or Chunks
- pka
- 15.69 · 15.69±0.20(Predicted)
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 29337900 · 29337900
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]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29337900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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