5-amino-2-methoxyphenol

• ChemBase ID: 149012
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: COc1ccc(cc1O)N
• Canonical SMILES: COc1ccc(cc1O)N
• InChI: InChI=1S/C7H9NO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,8H2,1H3
• InChIKey: BLQFHJKRTDIZLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-methoxyphenol
• IUPAC Traditional name: 5-amino-2-methoxyphenol
• Synonyms: 3-Hydroxy-p-anisidine; 3-Hydroxy-4-methoxyaniline; 5-Amino-2-methoxyphenol; 5-Amino-2-methoxyphenol; 5-氨基愈创木酚; 5-氨基-2-甲氧基苯酚

Database IDs

• CAS Number: 1687-53-2
• EC Number: 216-873-8
• MDL Number: MFCD00010222
• Beilstein Number: 2717084
• PubChem SID: 24855859; 162243181
• PubChem CID: 74314

CALCULATED PROPERTIES

• Acid pKa: 10.201075
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6254914
• LogD (pH = 7.4): 0.6816227
• Log P: 0.6830833
• Molar Refractivity: 39.2025 cm^3
• Polarizability: 14.596722 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130-132 °C(lit.); 130-132°C

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36; 9-26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: H2NC6H3(OCH3)OH

DETAILS

Sigma Aldrich - 262110

Packaging
1, 10 g in glass bottle