Quinuclidin-3-one oxime
Basic information
- CAS
35423-17-7- Standard SMILES
O/N=C1\CN2CCC1CC2- InChIKey
QSXHBTDHLNHMLV-BQYQJAHWSA-N- Molecular formula
- C7H12N2O
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.09496301
Names & identifiers
- Preferred name
- Quinuclidin-3-one oxime
- IUPAC
- (NZ)-N-(1-azabicyclo[2.2.2]octan-3-ylidene)hydroxylamine
- English name
- 3-Quinuclidinone oxime
- Molecular formula
- C7H12N2O
- Molecular weight
- 140.18
Names & synonyms
Quinuclidin-3-one oxime3-quinuclidinone oxime35423-17-7NSC 83398NSC83398N-[(3Z)-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine3-Hydroxyiminoquinclidine3-(hydroxyimino)quinuclidineMFCD00513304SCHEMBL7811397CHEMBL1190900MFCD03768424
Show more names
(1s,4s,E)-quinuclidin-3-one oxime1-azabicyclo[2.2.2]octan-3-one oxime
NSC168543SBB086175AKOS003239385NSC-168543CS-03660214P-039
Database identifiers
- CAS
35423-17-7、76883-37-9- PubChem CID
- 6323819
- ChEMBL
CHEMBL1190900- EC Number
- 609-125-0
- Nikkaji
- J2.283.634J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 223 · 223-225°C
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…