N-phenylpyrrolidin-3-amine

• ChemBase ID: 34571
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: N1CC(CC1)Nc1ccccc1
• Canonical SMILES: C1NCC(C1)Nc1ccccc1
• InChI: InChI=1S/C10H14N2/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h1-5,10-12H,6-8H2
• InChIKey: AAFUQJGCJNFFRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylpyrrolidin-3-amine
• IUPAC Traditional name: N-phenylpyrrolidin-3-amine
• Synonyms: N-Phenylpyrrolidin-3-amine

Database IDs

• CAS Number: 17741-13-8
• MDL Number: MFCD06740348
• PubChem SID: 160997878
• PubChem CID: 11412557

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2044306
• LogD (pH = 7.4): -1.8202506
• Log P: 1.0298223
• Molar Refractivity: 51.5428 cm^3
• Polarizability: 19.659422 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 1.338

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%