3-[9-(3-aminopropyl)-9H-fluoren-9-yl]propan-1-amine

• ChemBase ID: 108434
• Molecular Formular: C19H24N2
• Molecular Mass: 280.40726
• Monoisotopic Mass: 280.19394878
• SMILES: NCCCC1(CCCN)c2ccccc2c2ccccc12
• Canonical SMILES: NCCCC1(CCCN)c2ccccc2c2c1cccc2
• InChI: InChI=1S/C19H24N2/c20-13-5-11-19(12-6-14-21)17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10H,5-6,11-14,20-21H2
• InChIKey: YREZIWUCYDRMPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[9-(3-aminopropyl)-9H-fluoren-9-yl]propan-1-amine
• IUPAC Traditional name: fluorene-9,9-(bis)propylamine
• Synonyms: 9,9-bis(3-AMINOPROPYL)FLUORENE

Database IDs

• CAS Number: 2409-19-0
• PubChem SID: 162095635
• PubChem CID: 17001

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0306828
• LogD (pH = 7.4): -2.189549
• Log P: 3.0172393
• Molar Refractivity: 99.9679 cm^3
• Polarizability: 36.597775 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207331

MP Biomedicals Rare Chemical collection