3-aminonaphthalen-2-ol

• ChemBase ID: 58778
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: c1ccc2c(c1)cc(c(c2)O)N
• Canonical SMILES: Nc1cc2ccccc2cc1O
• InChI: InChI=1S/C10H9NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H,11H2
• InChIKey: ZHVPTERSBUMMHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminonaphthalen-2-ol
• IUPAC Traditional name: 3-aminonaphthalen-2-ol
• Synonyms: 7-Hydroxy-1-naphthylamine; 8-Amino-2-naphthol; 3-Amino-2-naphthol; 3-Amino-2-naphthol; 2-Amino-3-hydroxynaphthalene; 3-Hydroxy-2-naphthylamine; 8-氨基-2-萘酚; 3-氨基-2-萘酚

Database IDs

• CAS Number: 118-46-7; 5417-63-0
• EC Number: 204-252-4; 226-519-4
• MDL Number: MFCD00004031; MFCD00004113
• PubChem SID: 162063541; 24850066
• PubChem CID: 79449

CALCULATED PROPERTIES

• Acid pKa: 10.0920725
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.807376
• LogD (pH = 7.4): 1.8289973
• Log P: 1.8302313
• Molar Refractivity: 49.1895 cm^3
• Polarizability: 19.635359 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 206-210°C; 229-230 °C(lit.); 232-238°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• RTECS: QL3331000
• European Hazard Symbols: X; Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38-40; 22-36/37/38; 36/37/38
• Safety Statements: 26-36/37; 26-36/37/39-45; 26-37
• TSCA Listed: false; 否; 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H312-H315-H319-H332-H335-H351; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Linear Formula: H2NC10H6OH

DETAILS

Sigma Aldrich - 164267

Packaging
1 g in glass bottle
5 g in poly bottle