1-(9H-carbazol-9-yl)-3-[(furan-2-ylmethyl)amino]propan-2-ol

• ChemBase ID: 11161
• Molecular Formular: C20H20N2O2
• Molecular Mass: 320.385
• Monoisotopic Mass: 320.15247789
• SMILES: n1(c2c(c3c1cccc3)cccc2)CC(O)CNCc1occc1
• Canonical SMILES: OC(Cn1c2ccccc2c2c1cccc2)CNCc1ccco1
• InChI: InChI=1S/C20H20N2O2/c23-15(12-21-13-16-6-5-11-24-16)14-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22/h1-11,15,21,23H,12-14H2
• InChIKey: PWDXMUGOYSJNDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(9H-carbazol-9-yl)-3-[(furan-2-ylmethyl)amino]propan-2-ol
• IUPAC Traditional name: 1-(carbazol-9-yl)-3-[(furan-2-ylmethyl)amino]propan-2-ol
• Synonyms: 1-(9H-carbazol-9-yl)-3-[(furan-2-ylmethyl)amino]propan-2-ol; 1-Carbazol-9-yl-3-[(furan-2-ylmethyl)-amino]-propan-2-ol

Database IDs

• MDL Number: MFCD01541487
• PubChem SID: 160974468
• PubChem CID: 652652

CALCULATED PROPERTIES

• Acid pKa: 14.4324045
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6838352
• LogD (pH = 7.4): 2.416083
• Log P: 3.1045432
• Molar Refractivity: 94.0593 cm^3
• Polarizability: 39.011307 Å^3
• Polar Surface Area: 50.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.79

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%