2-amino-4-(hydroxymethyl)phenol

• ChemBase ID: 297203
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: c1cc(c(cc1CO)N)O
• Canonical SMILES: OCc1ccc(c(c1)N)O
• InChI: InChI=1S/C7H9NO2/c8-6-3-5(4-9)1-2-7(6)10/h1-3,9-10H,4,8H2
• InChIKey: NGYKCAMDGXRBNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-(hydroxymethyl)phenol
• IUPAC Traditional name: 2-amino-4-(hydroxymethyl)phenol
• Synonyms: 2-Hydroxy-5-methoxyaniline; 2-Amino-4-methoxyphenol

Database IDs

• CAS Number: 20734-76-3
• MDL Number: MFCD06616911
• PubChem SID: 180682734
• PubChem CID: 12000270

CALCULATED PROPERTIES

• Acid pKa: 10.2804985
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.052328236
• LogD (pH = 7.4): 0.07252419
• Log P: 0.073404774
• Molar Refractivity: 39.5552 cm^3
• Polarizability: 14.535832 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135-137°C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: X
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 9-26-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H332-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: 97%