1-(tert-Butyl)-3-methoxypyrrolidine
Basic information
- CAS
321198-30-5- Standard SMILES
COC1CCN(C(C)(C)C)C1- InChIKey
ZHHBOECYVOCKFI-UHFFFAOYSA-N- Molecular formula
- C9H19NO
- Average molar mass
- 157.25 g/mol
Names & identifiers
- Preferred name
- 1-(tert-Butyl)-3-methoxypyrrolidine
- IUPAC
- 1-tert-butyl-3-methoxypyrrolidine
- English name
- Pyrrolidine, 1-(1,1-dimethylethyl)-3-methoxy- (9CI)
- Molecular formula
- C9H19NO
- Molecular weight
- 157.25
Names & synonyms
1-(tert-Butyl)-3-methoxypyrrolidine321198-30-5SCHEMBL6582513Pyrrolidine, 1-(1,1-dimethylethyl)-3-methoxy-Pyrrolidine, 1-(1,1-dimethylethyl)-3-methoxy- (9CI)
Database identifiers
- CAS
321198-30-5
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 179.1 · 179.1±33.0 °C(Predicted)
- Density
- 0.91 · 0.91±0.1 g/cm3(Predicted)
- pka
- 9.47 · 9.47±0.40(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…