decahydroquinolin-4-ol hydrochloride

• ChemBase ID: 14410
• Molecular Formular: C9H18ClNO
• Molecular Mass: 191.69832
• Monoisotopic Mass: 191.10769188
• SMILES: C12C(C(CCN1)O)CCCC2.Cl
• Canonical SMILES: OC1CCNC2C1CCCC2.Cl
• InChI: InChI=1S/C9H17NO.ClH/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h7-11H,1-6H2;1H
• InChIKey: QXQGRJZPPZMIGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decahydroquinolin-4-ol hydrochloride
• IUPAC Traditional name: decahydroquinolin-4-ol hydrochloride
• Synonyms: Decahydro-quinolin-4-ol hydrochloride

Database IDs

• MDL Number: MFCD00465746
• PubChem SID: 160977717
• PubChem CID: 2831823

CALCULATED PROPERTIES

• Acid pKa: 14.861571
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6971543
• LogD (pH = 7.4): -2.0348697
• Log P: 0.5244449
• Molar Refractivity: 44.5757 cm^3
• Polarizability: 17.993933 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