Basic information
- CAS
4567-22-0- Standard SMILES
CC1(C)CCC(C)(C)N1- InChIKey
FMRWQLAJBBKXDM-UHFFFAOYSA-N- Molecular formula
- C8H17N
- Average molar mass
- 127.23 g/mol
- Monoisotopic mass
- 127.13609954
Names & identifiers
- Preferred name
- 2,2,5,5-Tetramethylpyrrolidine
- IUPAC
- 2,2,5,5-tetramethylpyrrolidine
- English name
- 2,2,5,5-Tetramethylpyrrolidine
- Molecular formula
- C8H17N
- Molecular weight
- 127.23
Names & synonyms
2,2,5,5-Tetramethylpyrrolidine4567-22-0Pyrrolidine, 2,2,5,5-tetramethyl-DTXSID60196579RefChem:1059032DTXCID50119070BRN 0103073SCHEMBL688917SCHEMBL887146FMRWQLAJBBKXDM-UHFFFAOYSA-NEN300-2963552
Database identifiers
- CAS
4567-22-0- PubChem CID
- 78320
- DTXSID
DTXSID60196579- Nikkaji
- J51.461F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.7
Physicochemical properties
- Boiling point
- 196.06 °C · 196.06°C (rough estimate)
- Density
- 0.8455 · 0.8455 (estimate)
- refractive index
- 1.42 · 1.4200 (estimate)
- pka
- 12.22 · 12.22±0.10(Predicted)
Related reactions
4 records
Compound notes
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