2-(N-Propylformimidoyl)pyrrole
Basic information
- CAS
74039-31-9- Standard SMILES
CCCN=Cc1ccc[nH]1- InChIKey
KDZPOJUENUSECI-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004839
Names & identifiers
- Preferred name
- 2-(N-Propylformimidoyl)pyrrole
- IUPAC
- N-propyl-1-(1H-pyrrol-2-yl)methanimine
- English name
- (1-Propyl-1H-pyrrol-2-yl)methanimine
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
2-(N-Propylformimidoyl)pyrrole2-Pyrrolemethylimine, N-propyl-Pyrrole, 2-(N-propylformimidoyl)1-Propanamine, N-(1H-pyrrol-2-ylmethylene)-74039-31-9NSC 94977NSC94977SCHEMBL16745565NSC-94977AKOS006355240(1-Propyl-1H-pyrrol-2-yl)methanimineN-((1H-pyrrol-2-yl)methylene)propan-1-amine
Database identifiers
- CAS
74039-31-9- PubChem CID
- 96945
- Nikkaji
- J1.104.919B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 260.81 · 260.810±13.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.965 · 0.965±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.835 · 15.835±0.50(predicted)
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Compound notes
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