Agn-PC-036ekc
Basic information
- CAS
14091-87-3- Standard SMILES
CCC(C)=CN1CCCC1- InChIKey
YRISDUIJEUGGIA-UHFFFAOYSA-N- Molecular formula
- C9H17N
- Average molar mass
- 139.24 g/mol
- Monoisotopic mass
- 139.13609955
Names & identifiers
- Preferred name
- Agn-PC-036ekc
- IUPAC
- 1-(2-methylbut-1-enyl)pyrrolidine
- English name
- 1-(2-Methyl-1-butenyl)pyrrolidine
- Molecular formula
- C9H17N
- Molecular weight
- 139.24
Names & synonyms
14091-87-3AGN-PC-036EKCDTXSID20342257RefChem:317574DTXCID802933371-(2-Methyl-1-butenyl)pyrrolidine1-(2-methylbut-1-enyl)pyrrolidine1-(2-methylbut-1-en-1-yl)pyrrolidineSCHEMBL419487302-(1-pyrrolidinylmethylene)-butane
Database identifiers
- CAS
14091-87-3- PubChem CID
- 580168
- DTXSID
DTXSID20342257
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 121
Physicochemical properties
- Boiling point
- 201.395 · 201.395±7.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.938 · 0.938±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.779 · 8.779±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…