5-aminonaphthalen-1-ol

• ChemBase ID: 107533
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: Nc1cccc2c1cccc2O
• Canonical SMILES: Nc1cccc2c1cccc2O
• InChI: InChI=1S/C10H9NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,12H,11H2
• InChIKey: ZBIBQNVRTVLOHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminonaphthalen-1-ol
• IUPAC Traditional name: 5-aminonaphthalen-1-ol
• Synonyms: 1-AMINO-6-NAPHTHOL; 5-aminonaphthalen-1-ol; 5-Amino-1-naphthol; 1-AMINO-5-NAPHTHOL, TECH; 1-氨基-5-萘酚

Database IDs

• CAS Number: 83-55-6
• EC Number: 201-486-9
• MDL Number: MFCD00041826
• PubChem SID: 162094087; 24863445
• PubChem CID: 65746

CALCULATED PROPERTIES

• Acid pKa: 9.587302
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.820965
• LogD (pH = 7.4): 1.8273193
• Log P: 1.8302313
• Molar Refractivity: 49.1895 cm^3
• Polarizability: 19.640139 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: H2NC10H6OH

DETAILS

MP Biomedicals - 05204091

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05210096

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 376469

Packaging
25, 100 g in poly bottle