Basic information
- CAS
917202-56-3- Standard SMILES
CCN1CC2(C)CNCC(C)(C1)C2- InChIKey
IQSHXHMFRKXLIU-UHFFFAOYSA-N- Molecular formula
- C11H22N2
- Average molar mass
- 182.31 g/mol
- Monoisotopic mass
- 182.17829871
Names & identifiers
- Preferred name
- 3-Ethyl-1,5-dimethyl-3,7-diaza-bicyclo[3.3.1]-nonane
- IUPAC
- 3-ethyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane
- English name
- 3-Ethyl-1,5-dimethyl-3,7-diaza-bicyclo[3.3.1]-nonane
- Molecular formula
- C11H22N2
- Molecular weight
- 182.31
Names & synonyms
3-Ethyl-1,5-dimethyl-3,7-diaza-bicyclo[3.3.1]-nonane917202-56-33-ethyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonaneAKOS000302066AKOS024327972ST505323413,7-Diazabicyclo[3.3.1]nonane, 3-ethyl-1,5-dimethyl-
Database identifiers
- CAS
917202-56-3- PubChem CID
- 43818986
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 232.2 · 232.2±8.0 °C(Predicted)
- Density
- 0.935 · 0.935±0.06 g/cm3(Predicted)
- pka
- 10.76 · 10.76±0.60(Predicted)
- 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
Chemistry & industry
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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