3-ethoxypropan-1-amine

• ChemBase ID: 123367
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: NCCCOCC
• Canonical SMILES: NCCCOCC
• InChI: InChI=1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3
• InChIKey: SOYBEXQHNURCGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxypropan-1-amine
• IUPAC Traditional name: 1-propanamine, 3-ethoxy-
• Synonyms: 3-ethoxypropan-1-amine; 3-Ethoxypropylamine; 3-乙氧基丙胺; 3-乙氧基丙基胺

Database IDs

• CAS Number: 6291-85-6
• EC Number: 228-545-1
• MDL Number: MFCD00008221
• Beilstein Number: 1732287
• PubChem SID: 24854376; 162217720; 24845387
• PubChem CID: 22720

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2781267
• LogD (pH = 7.4): -2.8160625
• Log P: -0.25566667
• Molar Refractivity: 30.5763 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 136-138 °C(lit.); 136-138°C
• Flash Point: 32°C(91°F); 33 °C; 91.4 °F
• Density: 0.860; 0.861 g/mL at 25 °C(lit.)
• Refractive Index: 1.4185; n20/D 1.418; n20/D 1.418(lit.)

Safety Information

• RTECS: UI2700000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734; UN2733
• German water hazard class: 1
• Hazard Class: 3; 8
• Packing Group: 2; III
• Risk Statements: 10-22-34; 10-34
• Safety Statements: 26-36/37/39-45; 7-20-26-33-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H314; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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 2734 8/PG 2

Product Information

• Purity: ≥98.0% (GC); 99%
• Grade: purum
• Linear Formula: C2H5O(CH2)3NH2

DETAILS

Sigma Aldrich - 239437

Packaging
100 g in glass bottle