2,5-Bis((dimethylamino)methyl)cyclopentanone
Basic information
- CAS
13290-51-2- Standard SMILES
CN(C)CC1CCC(CN(C)C)C1=O- InChIKey
WSFGETDXBRYWCT-UHFFFAOYSA-N- Molecular formula
- C11H22N2O
- Average molar mass
- 198.31 g/mol
- Monoisotopic mass
- 198.17321333
Names & identifiers
- Preferred name
- 2,5-Bis((dimethylamino)methyl)cyclopentanone
- IUPAC
- 2,5-bis[(dimethylamino)methyl]cyclopentan-1-one
- English name
- AKOS BC-0792
- Molecular formula
- C11H22N2O
- Molecular weight
- 198.31
Names & synonyms
13290-51-22,5-bis[(dimethylamino)methyl]cyclopentanone2,5-Bis((dimethylamino)methyl)cyclopentanoneRefChem:2470822,5-BIS[(DIMETHYLAMINO)METHYL]CYCLOPENTAN-1-ONE2,5-bis[(dimethylamino)methyl]cyclopentanone dihydrochlorideCyclopentanone, 2,5-bis[(dimethylamino)methyl]-, dihydrochlorideMFCD01210808AKOS BC-07922,5-Bis((dimethylamino)methyl)cyclopentanone hydrochloride2,5-bis(dimethylaminomethyl)cyclopentanoneR4343
Show more names
CHEMBRDG-BB 40237292,5-bis(dimethylaminomethyl)cyclopentan-1-one2,5-bis(dimethylaminomethyl)-1-cyclopentanonecyclopentanone, 2,5-bis[(dimethylamino)methyl]-2,5-bis[(dimethylamino)methyl]cyclopentanone(SALTDATA: 2HCl)
SCHEMBL3965498CHEMBL2009896DTXSID201255501ALBB-013859AKOS004119409AKOS017258959NCI60_000686PD028046
Database identifiers
- CAS
13290-51-2- PubChem CID
- 368964
- DTXSID
DTXSID201255501- ChEMBL
CHEMBL2009896- Nikkaji
- J550.173C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- 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
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