2-[(4-diazenylphenyl)amino]ethan-1-ol

• ChemBase ID: 109334
• Molecular Formular: C8H11N3O
• Molecular Mass: 165.19244
• Monoisotopic Mass: 165.09021199
• SMILES: OCCNc1ccc(cc1)N=N
• Canonical SMILES: OCCNc1ccc(cc1)N=N
• InChI: InChI=1S/C8H11N3O/c9-11-8-3-1-7(2-4-8)10-5-6-12/h1-4,9-10,12H,5-6H2
• InChIKey: WSODWCIKOQLCBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-diazenylphenyl)amino]ethan-1-ol
• IUPAC Traditional name: 2-[(4-diazenylphenyl)amino]ethanol
• Synonyms: 4-DIAZO-N-(β-HYDROXYETHYL)ANILINE TECHNICAL GRADE

Database IDs

• PubChem SID: 162106265
• PubChem CID: 24884299

CALCULATED PROPERTIES

• Acid pKa: 15.588412
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.84168077
• LogD (pH = 7.4): 0.8462332
• Log P: 0.8462915
• Molar Refractivity: 49.2392 cm^3
• Polarizability: 17.442812 Å^3
• Polar Surface Area: 68.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Grade: TECHNICAL

DETAILS

MP Biomedicals - 05210680

MP Biomedicals Rare Chemical collection