8-aminonaphthalen-2-ol

• ChemBase ID: 87168
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: Oc1cc2c(cccc2cc1)N
• Canonical SMILES: Oc1ccc2c(c1)c(N)ccc2
• InChI: InChI=1S/C10H9NO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-6,12H,11H2
• InChIKey: KVHHMYZBFBSVDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-aminonaphthalen-2-ol
• IUPAC Traditional name: 2-naphthalenol, 8-amino-
• Synonyms: 8-Amino-2-naphthol; 8-Amino-2-hydroxynaphthalene 98%; 8-Amino-2-naphthol; 8-aminonaphthalen-2-ol; 8-氨基-2-萘酚

Database IDs

• CAS Number: 118-46-7
• EC Number: 204-252-4
• MDL Number: MFCD00004031
• PubChem SID: 162074284; 24878181
• PubChem CID: 8358

CALCULATED PROPERTIES

• Acid pKa: 9.736422
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8215022
• LogD (pH = 7.4): 1.828136
• Log P: 1.8302313
• Molar Refractivity: 49.1895 cm^3
• Polarizability: 19.636248 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204-210°C; 206 - 210°C; 206-210 °C(lit.)
• Hydrophobicity(logP): 1.422

Safety Information

• Storage Warning: Irritant/Light Sensitive
• RTECS: QL3331000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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: 95%; 97%; 98%
• Linear Formula: H2NC10H6OH

DETAILS

Sigma Aldrich - 536911

Packaging
25, 500 g in glass bottle