(3-aminopropyl)diethylamine

• ChemBase ID: 24275
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: N(CCCN)(CC)CC
• Canonical SMILES: NCCCN(CC)CC
• InChI: InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3
• InChIKey: QOHMWDJIBGVPIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)diethylamine
• IUPAC Traditional name: (3-aminopropyl)diethylamine
• Synonyms: (3-Diethylamino)propylamine; DEAPA; N,N-Diethyl-1,3-diaminopropane; N,N-Diethyl-1,3-propanediamine; 3-(Diethylamino)propylamine; 3-DIETHYLAMINO-n-PROPYLAMINE; N1,N1-diethylpropane-1,3-diamine; N1,N1-Diethyl-1,3-propanediamine; 3-Diethylamino-1-propylamine; N,N-Diethyl-1,3-propanediamine; N,N-二乙基-1,3-丙二胺; N,N-二乙基-1,3-丙二胺; N,N-二乙基-1,3-二氨基丙烷; 3-二乙氨基丙胺; 3-二乙氨基-1-丙胺; N,N'-二乙基-1,3-二氨基丙烷; N,N'-二乙基-1,3-丙二胺

Database IDs

• CAS Number: 104-78-9
• EC Number: 203-236-4
• MDL Number: MFCD00008218
• Beilstein Number: 741879
• PubChem SID: 24859154; 160987582; 24874737; 24894238
• PubChem CID: 61011

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.506783
• LogD (pH = 7.4): -3.4055705
• Log P: 0.16676131
• Molar Refractivity: 42.3005 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -60°C
• Boiling Point: 159 °C(lit.); 168-171°C; 169-171 °C(lit.)
• Flash Point: 125.6 °F; 51°C(124°F); 52 °C
• Auto Ignition Point: 419 °F
• Density: 0.826; 0.826 g/mL at 20 °C(lit.); 0.826 g/mL at 25 °C(lit.)
• Refractive Index: 1.4420; n20/D 1.4416(lit.); n20/D 1.442
• Vapor Pressure: 19.5 mmHg ( 70 °C)
• Vapor Density: 4.4 (vs air)

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• RTECS: TX7350000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2684; UN2684
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-21/22-34-43
• Safety Statements: 1/2-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• Explode Limits: 11.6 %
• GHS Hazard statements: H226-H302 + H312-H314-H317; H226-H302-H312-H314-H317; H314-H226-H302-H312-H317
• 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 2684 3/PG 3

Product Information

• Purity: ≥98.0% (GC); ≥99%; 95+%; 99%
• Grade: purum
• Linear Formula: (C2H5)2N(CH2)3NH2

DETAILS

MP Biomedicals - 05201090

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D89204

Packaging
25 mL in glass bottle

Sigma Aldrich - 549975

Packaging
100, 500 mL in glass bottle
2 L in glass bottle
Legal Information
Product of Arkema Inc.