(4-aminophenyl)methanol

• ChemBase ID: 92404
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: OCc1ccc(cc1)N
• Canonical SMILES: OCc1ccc(cc1)N
• InChI: InChI=1S/C7H9NO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5,8H2
• InChIKey: AXKGIPZJYUNAIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminophenyl)methanol
• IUPAC Traditional name: P-aminobenzylalcohol
• Synonyms: 4-Aminobenzyl alcohol; 4-(Hydroxymethyl)aniline; (4-Aminophenyl)methanol; 4-Aminobenzyl alcohol; (4-aminophenyl)methanol; 4-氨基苄醇; 4-氨基苯甲醇; 4-氨基苄醇

Database IDs

• CAS Number: 623-04-1
• EC Number: 210-767-5
• MDL Number: MFCD00014782
• Beilstein Number: 2078680
• PubChem SID: 24851494; 162079102; 24846010
• PubChem CID: 69331

CALCULATED PROPERTIES

• Acid pKa: 15.155777
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.3473474
• LogD (pH = 7.4): 0.37658417
• Log P: 0.37697008
• Molar Refractivity: 37.5743 cm^3
• Polarizability: 13.922854 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59-63°C; 60-65 °C; 60-65 °C(lit.); 60-65°C
• Hydrophobicity(logP): -0.123

Safety Information

• Storage Warning: Air & Light Sensitive; Irritant/Store under inert gas/Keep Cold
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (T); 95%; 98%
• Grade: purum
• Linear Formula: H2NC6H4CH2OH

DETAILS

Sigma Aldrich - 191558

Packaging
5, 25 g in glass bottle