Basic information
- CAS
63978-06-3- Standard SMILES
CCC(=O)N1C2CCCC1CN(C)C2- InChIKey
WWPWSGWQSUCSDH-UHFFFAOYSA-N- Molecular formula
- C11H20N2O
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.15756327
Names & identifiers
- Preferred name
- 3,9-Diazabicyclo(3.3.1)nonane, 3-methyl-9-propionyl-
- IUPAC
- 1-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one
- English name
- 3-Methyl-9-propionyl-3,9-diazabicyclo[3.3.1]nonane
- Molecular formula
- C11H20N2O
- Molecular weight
- 196.29
Names & synonyms
BRN 060946963978-06-33-Metil-9-propionil-3,9-diazabiciclo(3.3.1)nonano [Italian]3,9-DIAZABICYCLO(3.3.1)NONANE, 3-METHYL-9-PROPIONYL-5-23-04-00019 (Beilstein Handbook Reference)3-Metil-9-propionil-3,9-diazabiciclo(3.3.1)nonanoRefChem:2727911-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one3-Methyl-9-propionyl-3,9-diazabicyclo[3.3.1]nonaneDTXSID70981453DB-3047961-Propanone, 1-(3-methyl-3,9-diazabicyclo[3.3.1]non-9-yl)-
Database identifiers
- CAS
63978-06-3- PubChem CID
- 45834
- DTXSID
DTXSID70981453- Nikkaji
- J68.384A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 40 · 40-92 °C(Press: 0.4 Torr)
- Density
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- pka
- 8.59 · 8.59±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…