ethyl[3-(ethylamino)propyl]amine

• ChemBase ID: 24490
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: N(CCCNCC)CC
• Canonical SMILES: CCNCCCNCC
• InChI: InChI=1S/C7H18N2/c1-3-8-6-5-7-9-4-2/h8-9H,3-7H2,1-2H3
• InChIKey: BEPGHZIEOVULBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[3-(ethylamino)propyl]amine
• IUPAC Traditional name: ethyl[3-(ethylamino)propyl]amine
• Synonyms: N,N'-DIETHYL TRIMETHYLENE DIAMINE; 1,3-Bis(ethylamino)propane; N,N′-Diethyl-1,3-propanediamine; N1,N3-Diethyl-1,3-propanediamine; N,N′-Diethyl-1,3-propanediamine; 1,3-Bis(ethylamino)propane (sym.); N1,N3-Diethylpropane-1,3-diamine; 1,3-双（乙氨基）丙烷; N,N-二乙基-1,3-丙二胺; N,N′-二乙基-1,3-丙二胺(对称); 1,3-双(乙氨基)丙烷(对称)

Database IDs

• CAS Number: 10061-68-4
• EC Number: 233-200-3
• MDL Number: MFCD00009036
• Beilstein Number: 1734025
• PubChem SID: 160987797; 24848356
• PubChem CID: 82334

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.8919563
• LogD (pH = 7.4): -4.046788
• Log P: 0.21629377
• Molar Refractivity: 41.7804 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 116.6 °F; 47 °C
• Auto Ignition Point: 689 °F
• Density: 0.816 g/mL at 20 °C(lit.); 0.819 g/ml; 0.819 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.437; n20/D 1.4374(lit.)
• Vapor Pressure: 1 mmHg ( 20 °C)
• Vapor Density: 4.4 (vs air)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34-43; R:10-34
• Safety Statements: 26-36/37/39-45; S:16-27/28-29-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• Explode Limits: 11.6 %
• GHS Hazard statements: H226-H314-H317; H226-H314-H334
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310; 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: ≥97.0% (GC); 95+%; 97%; 98%
• Grade: purum
• Linear Formula: C2H5NH(CH2)3NHC2H5

DETAILS

MP Biomedicals - 05223486

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 138428

Packaging
10, 50 g in glass bottle