N-Benzylpyrrole

• CAS: 2051-97-0
• Catalog Number: ACM2051970
• Category: Other Products
• Molecular Weight: 157.21g/mol
• Molecular Formula: C11H11N
• IUPAC Name: 1-benzylpyrrole
• Canonical SMILES: C1=CC=C(C=C1)CN2C=CC=C2
• InChI: InChI=1S/C11H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-9H,10H2
• InChI Key: FNEQHKCQXDKYEO-UHFFFAOYSA-N
• Boiling Point: 247.0 °C
• Melting Point: 15.0 °C
• Complexity: 121
• Covalently-Bonded Unit Count: 1
• EC Number: 218-137-1
• Exact Mass: 157.089149g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 12
• LogP: 2.71 (LogP)
• Monoisotopic Mass: 157.089149g/mol
• NSC Number: 116806;4024
• Rotatable Bond Count: 2
• XLogP3: 2.7