1,2,3,4-tetrahydroquinolin-7-ol

• ChemBase ID: 67476
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: N1CCCc2ccc(cc12)O
• Canonical SMILES: Oc1ccc2c(c1)NCCC2
• InChI: InChI=1S/C9H11NO/c11-8-4-3-7-2-1-5-10-9(7)6-8/h3-4,6,10-11H,1-2,5H2
• InChIKey: HJJRGZMJZDSMDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroquinolin-7-ol
• IUPAC Traditional name: 1,2,3,4-tetrahydroquinolin-7-ol
• Synonyms: 7-Hydroxy-1,2,3,4-tetrahydroquinoline

Database IDs

• CAS Number: 58196-33-1
• MDL Number: MFCD08063887
• PubChem SID: 162033211
• PubChem CID: 93980

CALCULATED PROPERTIES

• Acid pKa: 10.071087
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5891296
• LogD (pH = 7.4): 1.6254911
• Log P: 1.6269158
• Molar Refractivity: 46.1433 cm^3
• Polarizability: 16.788244 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%