Basic information
- CAS
5882-03-1- Standard SMILES
O=C(CCCN1CCCC1)N1CCCC1- InChIKey
NJBNFNJNWNEJMR-UHFFFAOYSA-N- Molecular formula
- C12H22N2O
- Average molar mass
- 210.32 g/mol
- Monoisotopic mass
- 210.17321333
Names & identifiers
- Preferred name
- 1-(1-Oxo-4-(1-pyrrolidinyl)butyl)pyrrolidine
- IUPAC
- 1,4-dipyrrolidin-1-ylbutan-1-one
- English name
- 1-[1-oxo-4-(1-pyrrolidinyl)butyl]pyrrolidine
- Molecular formula
- C12H22N2O
- Molecular weight
- 210.31588
Names & synonyms
1,4-dipyrrolidin-1-ylbutan-1-one1,4-di(pyrrolidin-1-yl)butan-1-one5882-03-11-(1-Oxo-4-(1-pyrrolidinyl)butyl)pyrrolidineEINECS 227-554-8DTXSID80207550NJBNFNJNWNEJMR-UHFFFAOYSA-NNS000460781-[1-oxo-4-(1-pyrrolidinyl)butyl]pyrrolidinePyrrolidine, 1-[1-oxo-4-(1-pyrrolidinyl)butyl]- (9CI)
Database identifiers
- CAS
5882-03-1- PubChem CID
- 79986
- DTXSID
DTXSID80207550- EC Number
- 227-554-8
- Nikkaji
- J218.121E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 149 °C · 149 °C
- Boiling point
- 182 · 182-184 °C(Press: 9 Torr)
- Density
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- pka
- 10.32 · 10.32±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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