Basic information
- CAS
588672-49-5- Standard SMILES
CCN1CCC(C(C)C)C1- InChIKey
OYRYPMKVJHXTSC-UHFFFAOYSA-N- Molecular formula
- C9H19N
- Average molar mass
- 141.25 g/mol
- Monoisotopic mass
- 141.15174961
Names & identifiers
- Preferred name
- 1-Ethyl-3-isopropylpyrrolidine
- IUPAC
- 1-ethyl-3-propan-2-ylpyrrolidine
- English name
- Pyrrolidine, 1-ethyl-3-(1-methylethyl)- (9CI)
- Molecular formula
- C9H19N
- Molecular weight
- 141.25
Names & synonyms
1-Ethyl-3-isopropylpyrrolidine588672-49-5SCHEMBL4762401Pyrrolidine, 1-ethyl-3-(1-methylethyl)-Pyrrolidine, 1-ethyl-3-(1-methylethyl)- (9CI)
Database identifiers
- CAS
588672-49-5- PubChem CID
- 12122768
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 98.9
Physicochemical properties
- Boiling point
- 163.7 · 163.7±8.0 °C(Predicted)
- Density
- 0.833 · 0.833±0.06 g/cm3(Predicted)
- pka
- 10.58 · 10.58±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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