Basic information
- CAS
113035-28-2- Standard SMILES
CC(C)(C)C1=CC2=C(N3CCCCC3)N=C(C(C)(C)C)C2=C1- InChIKey
NGRJLIFMSWCYGW-UHFFFAOYSA-N- Molecular formula
- C20H30N2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.24089897
Names & identifiers
- Preferred name
- 2-Azapentalene, 1,5-di(tert-butyl)-3-piperidinyl)-
- IUPAC
- 3,5-ditert-butyl-1-piperidin-1-ylcyclopenta[c]pyrrole
- English name
- 2-Azapentalene, 1,5-di(tert-butyl)-3-piperidinyl)-
- Molecular formula
- C20H30N2
- Molecular weight
- 298.47
Names & synonyms
2-Azapentalene, 1,5-di(tert-butyl)-3-piperidinyl)-113035-28-21,5-ditert-butyl-3-piperidin-1-ylcyclopenta[c]pyrroleDTXSID701502681,5-Di-tert-butyl-3-(piperidin-1-yl)cyclopenta[c]pyrroleCyclopenta[c]pyrrole, 1,5-bis(1,1-dimethylethyl)-3-(1-piperidinyl)-
Database identifiers
- CAS
113035-28-2- PubChem CID
- 145491
- DTXSID
DTXSID70150268
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 595
Physicochemical properties
- Boiling point
- 439.6 · 439.6±28.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 13 · 13.00±0.40(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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