2-amino-4-methoxyphenol

• ChemBase ID: 17690
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: c1(cc(c(cc1)O)N)OC
• Canonical SMILES: COc1ccc(c(c1)N)O
• InChI: InChI=1S/C7H9NO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
• InChIKey: TUADYTFWZPZZTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-methoxyphenol
• IUPAC Traditional name: 2-amino-4-methoxyphenol
• Synonyms: 2-Amino-4-methoxy-phenol; 2-Amino-4-methoxyphenol; 2-Hydroxy-5-methoxyaniline; 3-Amino-4-hydroxyanisole; 2-Amino-4-methoxyphenol; 2-氨基-4-甲氧基苯酚

Database IDs

• CAS Number: 20734-76-3
• MDL Number: MFCD06616911
• PubChem SID: 160980997
• PubChem CID: 1419108

CALCULATED PROPERTIES

• Acid pKa: 10.724214
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.67127806
• LogD (pH = 7.4): 0.68272
• Log P: 0.6830833
• Molar Refractivity: 39.2025 cm^3
• Polarizability: 14.596458 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 140°C; 135-140 °C; 135-140°C
• Hydrophobicity(logP): 0.768

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-52/53
• Safety Statements: 61
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 98%
• Empirical Formula (Hill Notation): C7H9NO2

DETAILS

Sigma Aldrich - 722367

Packaging
1 g in glass bottle