ethyl(propan-2-yl)amine

• ChemBase ID: 109951
• Molecular Formular: C5H13N
• Molecular Mass: 87.16342
• Monoisotopic Mass: 87.10479942
• SMILES: CCNC(C)C
• Canonical SMILES: CCNC(C)C
• InChI: InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3
• InChIKey: RIVIDPPYRINTTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(propan-2-yl)amine
• IUPAC Traditional name: ethyl isopropylamine
• Synonyms: 1-Methyldiethylamine; N-Ethylisopropylamine; ETHYLISOPROPYLAMINE; N-Isopropylethylamine; ethyl(propan-2-yl)amine; 1-甲基二乙基胺; N-乙基异丙基胺

Database IDs

• CAS Number: 19961-27-4
• EC Number: 243-442-1
• MDL Number: MFCD00015105
• Beilstein Number: 505952
• PubChem SID: 162095551; 24864086
• PubChem CID: 88318

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2993195
• LogD (pH = 7.4): -2.0055628
• Log P: 0.9373125
• Molar Refractivity: 28.6094 cm^3
• Polarizability: 11.495053 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 71-73 °C(lit.); 71-73°C
• Flash Point: 16 °C; 16°C(60°F); 60.8 °F
• Density: 0.72 g/mL at 25 °C(lit.); 0.720
• Refractive Index: 1.3920; n20/D 1.392; n20/D 1.392(lit.)
• Hydrophobicity(logP): 0.849

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-34
• Safety Statements: 16-26-27-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314; H225-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-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 2733 3/PG 2

Product Information

• Purity: ≥98.0% (GC); 95%; 98%
• Grade: purum
• Impurities: ≤2% water
• Linear Formula: (CH3)2CHNHC2H5

DETAILS

MP Biomedicals - 05213158

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 386391

Packaging
5, 25 mL in glass bottle