2-(4-ethylphenyl)ethan-1-amine

• ChemBase ID: 7899
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1c(ccc(c1)CCN)CC
• Canonical SMILES: NCCc1ccc(cc1)CC
• InChI: InChI=1S/C10H15N/c1-2-9-3-5-10(6-4-9)7-8-11/h3-6H,2,7-8,11H2,1H3
• InChIKey: XLJAVPNHXCHBPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethylphenyl)ethan-1-amine
• IUPAC Traditional name: 2-(4-ethylphenyl)ethanamine
• Synonyms: 2-(4-ethylphenyl)ethan-1-amine; 4-Ethylphenethylamine; 4-Ethylphenethylamine; 4-乙基苯基胺

Database IDs

• CAS Number: 64353-29-3
• MDL Number: MFCD00079757
• PubChem SID: 160971206; 24879874
• PubChem CID: 144047

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6651621
• LogD (pH = 7.4): 0.025808077
• Log P: 2.3456655
• Molar Refractivity: 48.9286 cm^3
• Polarizability: 19.128174 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 240-241 °C(lit.); 70°C/1mm
• Density: 0.93
• Refractive Index: n20/D 1.5230(lit.)
• Hydrophobicity(logP): 2.461

Safety Information

• Storage Warning: IRRITANT, IRRITANT-HARMFUL
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 2

Product Information

• Purity: 95%; 97%; 98%
• Bulk Density: 0.940 g/mL
• Linear Formula: CH3CH2C6H4CH2CH2NH2

DETAILS

Sigma Aldrich - 560537

Packaging
1, 5 g in glass bottle