2-(4-aminophenyl)ethan-1-ol

• ChemBase ID: 7897
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: C(c1ccc(cc1)N)CO
• Canonical SMILES: OCCc1ccc(cc1)N
• InChI: InChI=1S/C8H11NO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6,9H2
• InChIKey: QXHDYMUPPXAMPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenyl)ethan-1-ol
• IUPAC Traditional name: P-aminophenylethanol
• Synonyms: 2-(4-Amino-phenyl)ethanol; 2-(4-Aminophenyl)ethanol; 2-(4-Aminophenyl)ethanol; 2-(4-Aminophenyl)ethanol; 4-Aminophenethyl alcohol; 4-(Hydroxyethyl)aniline; 2-(4-Aminophenyl)ethan-1-ol; 4-Aminophenethyl alcohol; 4-Aminophenethyl alcohol; 4-氨基苯乙醇; 4-氨基苯乙醇; 对氨基苯乙醇; 2-(4-氨基苯基)乙醇

Database IDs

• CAS Number: 104-10-9
• EC Number: 203-174-8
• MDL Number: MFCD00007922
• Beilstein Number: 907205
• PubChem SID: 24855827; 160971204
• PubChem CID: 66904

CALCULATED PROPERTIES

• Acid pKa: 15.956967
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6089778
• LogD (pH = 7.4): 0.66486955
• Log P: 0.6656313
• Molar Refractivity: 42.3293 cm^3
• Polarizability: 15.691588 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107-110 °C; 107-110 °C(lit.); 107-110°C; 108-110°C; 108-110°C
• Boiling Point: 255°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Air Sensitive/Store under Argon/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (N); 95%; 97%; 98%
• Grade: purum
• Linear Formula: H2NC6H4CH2CH2OH

DETAILS

Sigma Aldrich - 261645

Packaging
5, 25 g in glass bottle