2-phenylpyrrolidine

• ChemBase ID: 19371
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: N1C(c2ccccc2)CCC1
• Canonical SMILES: C1CNC(C1)c1ccccc1
• InChI: InChI=1S/C10H13N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10-11H,4,7-8H2
• InChIKey: JUTDHSGANMHVIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpyrrolidine
• IUPAC Traditional name: pyrrolidine, 2-phenyl-
• Synonyms: 2-Phenylpyrrolidine

Database IDs

• CAS Number: 1006-64-0
• MDL Number: MFCD01631835
• PubChem SID: 160982678
• PubChem CID: 261892

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2399172
• LogD (pH = 7.4): -0.96401614
• Log P: 1.9971591
• Molar Refractivity: 46.5172 cm^3
• Polarizability: 18.54361 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.934

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%