decahydroquinoxalin-6-ol

• ChemBase ID: 244716
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C12CC(CCC2NCCN1)O
• Canonical SMILES: OC1CCC2C(C1)NCCN2
• InChI: InChI=1S/C8H16N2O/c11-6-1-2-7-8(5-6)10-4-3-9-7/h6-11H,1-5H2
• InChIKey: LZZLBWVZEKNFNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decahydroquinoxalin-6-ol
• IUPAC Traditional name: decahydroquinoxalin-6-ol
• Synonyms: decahydroquinoxalin-6-ol

Database IDs

• MDL Number: MFCD23144011
• PubChem SID: 164300626
• PubChem CID: 71757572

CALCULATED PROPERTIES

• Acid pKa: 15.206151
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.08405
• LogD (pH = 7.4): -2.7879028
• Log P: -0.77385044
• Molar Refractivity: 43.1581 cm^3
• Polarizability: 17.678791 Å^3
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.139

Product Information

• Purity: 95%