1,2,3,4-tetrahydroacridine-9-carboxamide

• ChemBase ID: 230601
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: c1(c2c(nc3c1cccc3)CCCC2)C(=O)N
• Canonical SMILES: NC(=O)c1c2CCCCc2nc2c1cccc2
• InChI: InChI=1S/C14H14N2O/c15-14(17)13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,15,17)
• InChIKey: MCGYLXFQIZWHLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroacridine-9-carboxamide
• IUPAC Traditional name: 1,2,3,4-tetrahydroacridine-9-carboxamide
• Synonyms: 1,2,3,4-Tetrahydro-acridine-9-carboxylic acid amide

Database IDs

• CAS Number: 42878-53-5
• MDL Number: MFCD00435230
• PubChem SID: 164286511
• PubChem CID: 2063411

CALCULATED PROPERTIES

• Acid pKa: 14.883314
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3013093
• LogD (pH = 7.4): 2.3076298
• Log P: 2.307711
• Molar Refractivity: 66.1161 cm^3
• Polarizability: 26.27679 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.75

Product Information

• Purity: 95%