(3-aminopropyl)dibenzylamine

• ChemBase ID: 286405
• Molecular Formular: C17H22N2
• Molecular Mass: 254.36998
• Monoisotopic Mass: 254.17829871
• SMILES: N(Cc1ccccc1)(Cc1ccccc1)CCCN
• Canonical SMILES: NCCCN(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C17H22N2/c18-12-7-13-19(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15,18H2
• InChIKey: KXBUDXGDASOGBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)dibenzylamine
• IUPAC Traditional name: (3-aminopropyl)dibenzylamine
• Synonyms: (3-aminopropyl)dibenzylamine

Database IDs

• MDL Number: MFCD12569920
• PubChem SID: 180671936
• PubChem CID: 11436748

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7052865
• LogD (pH = 7.4): -0.50610316
• Log P: 2.9020917
• Molar Refractivity: 82.0285 cm^3
• Polarizability: 32.293606 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.579

Product Information

• Purity: 95%