2-[ethyl(phenyl)amino]ethan-1-ol

• ChemBase ID: 108020
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: CCN(CCO)c1ccccc1
• Canonical SMILES: OCCN(c1ccccc1)CC
• InChI: InChI=1S/C10H15NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
• InChIKey: HYVGFUIWHXLVNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[ethyl(phenyl)amino]ethan-1-ol
• IUPAC Traditional name: ethanol, 2-(ethylphenylamino)-
• Synonyms: 2-(N-Ethylanilino)ethanol; N-ETHYL-N-(β-HYDROXYETHYL)ANILINE PRACTICAL GRADE; 2-(Ethyl(phenyl)amino)ethanol; (Ethyl(phenyl)aMino)ethanol; N-乙基-N-羟乙基苯胺

Database IDs

• CAS Number: 92-50-2
• EC Number: 202-160-9
• MDL Number: MFCD00020575
• PubChem SID: 24847339; 162093559
• PubChem CID: 62338

CALCULATED PROPERTIES

• Acid pKa: 15.579251
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.740185
• LogD (pH = 7.4): 1.7478964
• Log P: 1.7479956
• Molar Refractivity: 51.5275 cm^3
• Polarizability: 19.460972 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36°C; 36-38 °C(lit.)
• Boiling Point: 268 °C(lit.); 268 C

Safety Information

• RTECS: KL0878000
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-36/37/38; R:10-22-36/37/38
• Safety Statements: 36/37/39; S:16-25-26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 97%; 99%
• Grade: PRACTICAL
• Linear Formula: C6H5N(C2H5)CH2CH2OH

DETAILS

MP Biomedicals - 05205765

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 117684

Packaging
100 g in glass bottle