Basic information
- CAS
91086-15-6- Standard SMILES
CN1CC2CCC(C1)N2CCO- InChIKey
BKLJHZNEHATCBI-UHFFFAOYSA-N- Molecular formula
- C9H18N2O
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.1419132
Names & identifiers
- Preferred name
- 2-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethan-1-ol
- IUPAC
- 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol
- English name
- 3,8-Diazabicyclo[3.2.1]octane-8-ethanol,3-methyl-(7CI)
- Molecular formula
- C9H18N2O
- Molecular weight
- 170.25
Names & synonyms
91086-15-6SCHEMBL8373561DTXSID404953152-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethan-1-ol3,8-Diazabicyclo[3.2.1]octane-8-ethanol, 3-methyl-2-(3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCT-8-YL)ETHANOL3,8-Diazabicyclo[3.2.1]octane-8-ethanol,3-methyl-(7CI)
Database identifiers
- CAS
91086-15-6- PubChem CID
- 12378923
- DTXSID
DTXSID40495315
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 275.1 · 275.1±20.0 °C(Predicted)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- pka
- 14.97 · 14.97±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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