2-amino-5-methylphenol

• ChemBase ID: 92015
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: Oc1cc(ccc1N)C
• Canonical SMILES: Cc1ccc(c(c1)O)N
• InChI: InChI=1S/C7H9NO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3
• InChIKey: HCPJEHJGFKWRFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-methylphenol
• IUPAC Traditional name: 2-amino-5-methylphenol
• Synonyms: 2-Hydroxy-4-methylaniline; 4-Amino-3-hydroxytoluene; 6-Amino-m-cresol; 2-Amino-5-methylphenol; 2-Amino-5-methylphenol; 2-羟基-4-甲基苯胺; 4-氨基-3-羟基甲苯; 6-氨基间甲酚; 2-氨基-5-甲基苯酚

Database IDs

• CAS Number: 2835-98-5
• EC Number: 220-620-7
• MDL Number: MFCD00007693
• Beilstein Number: 386144
• PubChem SID: 162078713; 24848691
• PubChem CID: 76082

CALCULATED PROPERTIES

• Acid pKa: 10.432369
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.253461
• LogD (pH = 7.4): 1.3522081
• Log P: 1.3541759
• Molar Refractivity: 37.7805 cm^3
• Polarizability: 13.835799 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155-159°C; 159-162 °C(lit.); 160-162°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: H2NC6H3(CH3)OH

DETAILS

Sigma Aldrich - 144916

Packaging
10, 50 g in glass bottle