8-(diethylamino)octan-1-ol

• ChemBase ID: 167311
• Molecular Formular: C12H27NO
• Molecular Mass: 201.34888
• Monoisotopic Mass: 201.20926449
• SMILES: OCCCCCCCCN(CC)CC
• Canonical SMILES: OCCCCCCCCN(CC)CC
• InChI: InChI=1S/C12H27NO/c1-3-13(4-2)11-9-7-5-6-8-10-12-14/h14H,3-12H2,1-2H3
• InChIKey: DABAKVQGWZXKFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(diethylamino)octan-1-ol
• IUPAC Traditional name: 8-(diethylamino)octan-1-ol
• Synonyms: 8-(Diethylamino)-1-octanol; 8-(Diethylamino)octanol; 8-(N,N-Diethylamino)octan-1-ol

Database IDs

• CAS Number: 97028-90-5
• PubChem SID: 162261444
• PubChem CID: 22218503

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.91204244
• LogD (pH = 7.4): -0.25517473
• Log P: 2.5692804
• Molar Refractivity: 63.6916 cm^3
• Polarizability: 24.996824 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Ethyl Acetate; Methanol
• Apperance: Pale Yellow Oil