(2-aminoethoxy)benzene

• ChemBase ID: 69768
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: NCCOc1ccccc1
• Canonical SMILES: NCCOc1ccccc1
• InChI: InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
• InChIKey: IMLAIXAZMVDRGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethoxy)benzene
• IUPAC Traditional name: ethylamine, 2-phenoxy-
• Synonyms: 1-Amino-2-phenoxyethane; beta-Aminophenetole; 2-Phenoxyethylamine; (2-aminoethoxy)benzene; 2-Phenoxyethylamine; (2-phenoxyethyl)amine hydrochloride; 2-苯氧基乙胺

Database IDs

• CAS Number: 1758-46-9
• EC Number: 217-153-6
• MDL Number: MFCD00052975; MFCD08582762
• Beilstein Number: 774671
• PubChem SID: 24868404; 162035493
• PubChem CID: 15651

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9430071
• LogD (pH = 7.4): -0.83736897
• Log P: 1.0185907
• Molar Refractivity: 40.471 cm^3
• Polarizability: 16.225569 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 101-103 °C/4 mmHg(lit.); 101-103°C/4mm; 88-90°C/1mm
• Flash Point: 107 °C; 107°C; 107°C(224°F); 224.6 °F
• Density: 1.048; 1.048 g/mL at 25 °C(lit.)
• Refractive Index: 1.5370; n20/D 1.536(lit.)
• Hydrophobicity(logP): 1.262

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under Argon; IRRITANT
• RTECS: KR9500000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P308+P313
• 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 3

Product Information

• Purity: 95%; 95+%; 98%
• Salt Data: HCl
• Linear Formula: C6H5OCH2CH2NH2

DETAILS

Sigma Aldrich - 448400

Packaging
1, 5 g in glass bottle