3-[2-(2-Ethoxyethoxy)ethyl]pyrrolidine
Basic information
- CAS
1219977-22-6- Standard SMILES
CCOCCOCCC1CCNC1- InChIKey
BCEUANORCVUCSI-UHFFFAOYSA-N- Molecular formula
- C10H21NO2
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.15722891
Names & identifiers
- Preferred name
- 3-[2-(2-Ethoxyethoxy)ethyl]pyrrolidine
- IUPAC
- 3-[2-(2-ethoxyethoxy)ethyl]pyrrolidine
- English name
- 3-[2-(2-Ethoxyethoxy)ethyl]pyrrolidine
- Molecular formula
- C10H21NO2
- Molecular weight
- 187.28
Names & synonyms
3-[2-(2-ETHOXYETHOXY)ETHYL]PYRROLIDINE1219977-22-63-(2-(2-Ethoxyethoxy)ethyl)pyrrolidineDTXSID80696405AKOS006337038Pyrrolidine, 3-[2-(2-ethoxyethoxy)ethyl]-
Database identifiers
- CAS
1219977-22-6- PubChem CID
- 53409487
- DTXSID
DTXSID80696405
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 252 · 252.0±10.0 °C(Predicted)
- Density
- 0.931 · 0.931±0.06 g/cm3(Predicted)
- pka
- 10.35 · 10.35±0.10(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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