Basic information
- CAS
61108-24-5- Standard SMILES
O=C1CCN2CCCC1C2- InChIKey
SAFJJNGLNXXSMQ-UHFFFAOYSA-N- Molecular formula
- C8H13NO
- Average molar mass
- 139.19 g/mol
- Monoisotopic mass
- 139.09971404
Names & identifiers
- Preferred name
- 1-Azabicyclo(3.3.1)nonan-4-one
- IUPAC
- 1-azabicyclo[3.3.1]nonan-4-one
- English name
- 1-Azabicyclo[3.3.1]nonan-4-one
- Molecular formula
- C8H13NO
- Molecular weight
- 139.19
Names & synonyms
1-Azabicyclo[3.3.1]nonan-4-one61108-24-5DTXSID703291591-Azabicyclo(3.3.1)nonan-4-oneRefChem:227638DTXCID20280261858-082-6MFCD21364636NSC96461SCHEMBL416250SAFJJNGLNXXSMQ-UHFFFAOYSA-NLCA10824
Show more names
1-aza-bicyclo[3.3.1]nonan-4-oneAT13094DB-291353CS-0181623EN300-233820
Database identifiers
- CAS
61108-24-5- PubChem CID
- 417897
- DTXSID
DTXSID70329159- EC Number
- 858-082-6
- Nikkaji
- J1.584.621F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H335-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H315-H335-H318
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
上海宣月科技有限公司15216675652 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
9 records
Compound notes
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