4-aminonaphthalen-1-ol hydrochloride

• ChemBase ID: 55049
• Molecular Formular: C10H10ClNO
• Molecular Mass: 195.6455
• Monoisotopic Mass: 195.04509163
• SMILES: Oc1ccc(c2c1cccc2)N.Cl
• Canonical SMILES: Oc1ccc(c2c1cccc2)N.Cl
• InChI: InChI=1S/C10H9NO.ClH/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;/h1-6,12H,11H2;1H
• InChIKey: FDBQTRARWCKEJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminonaphthalen-1-ol hydrochloride
• IUPAC Traditional name: 4-amino-1-naphthol hydrochloride
• Synonyms: 4-Amino-1-hydroxynaphthalene hydrochloride; 4-Amino-1-naphthol hydrochloride 90%; 4-Amino-1-naphthol hydrochloride; 4-Amino-1-naphthol hydrochloride; 4-Hydroxy-1-naphthylamine hydrochloride; 4-Aminonaphthalen-1-ol hydrochloride; 4-氨基-1-萘酚 盐酸盐; 4-氨基-1-萘酚盐酸盐

Database IDs

• CAS Number: 5959-56-8
• EC Number: 227-727-8
• MDL Number: MFCD00012562
• PubChem SID: 24848111; 162059812
• PubChem CID: 2723858

CALCULATED PROPERTIES

• Acid pKa: 10.016674
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6846268
• LogD (pH = 7.4): 1.8268456
• Log P: 1.8302313
• Molar Refractivity: 49.1895 cm^3
• Polarizability: 19.63961 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 264 - 266°C; 273 °C (dec.)(lit.); 273°C; ca 272°C dec.
• Hydrophobicity(logP): 1.422

Safety Information

• Storage Warning: Hygroscopic; IRRITANT; Irritant
• RTECS: QL3342000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 90%; 95%; 95+%; tech. 90%
• Grade: technical grade
• Salt Data: HCl
• Linear Formula: H2NC10H6OH · HCl

DETAILS

Sigma Aldrich - 133485

Packaging
25 g in poly bottle
5 g in glass bottle