(3-aminopropyl)(3-phenylpropyl)amine

• ChemBase ID: 269993
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: N(CCCN)CCCc1ccccc1
• Canonical SMILES: NCCCNCCCc1ccccc1
• InChI: InChI=1S/C12H20N2/c13-9-5-11-14-10-4-8-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11,13H2
• InChIKey: KVQFEIUOCUWSAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)(3-phenylpropyl)amine
• IUPAC Traditional name: (3-aminopropyl)(3-phenylpropyl)amine
• Synonyms: (3-aminopropyl)(3-phenylpropyl)amine

Database IDs

• MDL Number: MFCD12803558
• PubChem SID: 164325903
• PubChem CID: 10954401

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.2930346
• LogD (pH = 7.4): -2.3531356
• Log P: 1.5278004
• Molar Refractivity: 61.4772 cm^3
• Polarizability: 24.42013 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.498

Product Information

• Purity: 95%