1,2,3,4-tetrahydroquinoline-8-carbaldehyde

• ChemBase ID: 237295
• Molecular Formular: C10H11NO
• Molecular Mass: 161.20044
• Monoisotopic Mass: 161.08406398
• SMILES: c12c(C=O)cccc2CCCN1
• Canonical SMILES: O=Cc1cccc2c1NCCC2
• InChI: InChI=1S/C10H11NO/c12-7-9-4-1-3-8-5-2-6-11-10(8)9/h1,3-4,7,11H,2,5-6H2
• InChIKey: HJEYKUWXOZQEEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroquinoline-8-carbaldehyde
• IUPAC Traditional name: 1,2,3,4-tetrahydroquinoline-8-carbaldehyde
• Synonyms: 1,2,3,4-tetrahydroquinoline-8-carbaldehyde

Database IDs

• MDL Number: MFCD13179303
• PubChem SID: 164293205
• PubChem CID: 12469958

CALCULATED PROPERTIES

• Acid pKa: 19.771698
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.290915
• LogD (pH = 7.4): 2.2929573
• Log P: 2.2929835
• Molar Refractivity: 50.7464 cm^3
• Polarizability: 18.07934 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.164

Product Information

• Purity: 95%