(propan-2-yl)({2-[(propan-2-yl)amino]ethyl})amine

• ChemBase ID: 150652
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: CC(C)NCCNC(C)C
• Canonical SMILES: CC(NCCNC(C)C)C
• InChI: InChI=1S/C8H20N2/c1-7(2)9-5-6-10-8(3)4/h7-10H,5-6H2,1-4H3
• InChIKey: MFIGJRRHGZYPDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (propan-2-yl)({2-[(propan-2-yl)amino]ethyl})amine
• IUPAC Traditional name: isopropyl[2-(isopropylamino)ethyl]amine
• Synonyms: N,N′-Diisopropylethylenediamine; N1,N2-Bis(1-methylethyl)-1,2-ethanediamine; N,N’-Bis(1-methylethyl)-1,2-ethanediamine; N,N'-Diisopropylethylenediamine; 1,2-Bis(isopropylamino)ethane; N,N’-Diisopropyl-1,2-diaminoethane; N,N’-Diisopropyl-1,2-ethanediamine; N,N'-Diisopropylethylenediamine; N,N'-Diisopropylethylenediamine; N,N′-二异丙基乙二胺; N,N'-二异丙基乙二胺

Database IDs

• CAS Number: 4013-94-9
• EC Number: 223-666-6
• MDL Number: MFCD00008864
• Beilstein Number: 1735571
• PubChem SID: 162244813; 24858004
• PubChem CID: 77628

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.80685
• LogD (pH = 7.4): -1.7010092
• Log P: 0.9894841
• Molar Refractivity: 45.7526 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 169-171 °C(lit.); 169-171°C
• Flash Point: 125.6 °F; 51°C(123°F); 52 °C
• Density: 0.798; 0.798 g/mL at 25 °C(lit.)
• Refractive Index: 1.4289; n20/D 1.4289(lit.)

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Corrosive (C)
• UN Number: 2733; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45; 7-20-26-33-36/37/39-43-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-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 2733 3/PG 3

Product Information

• Purity: 97%; 99%
• Linear Formula: (CH3)2CHNHCH2CH2NHCH(CH3)2

DETAILS

Sigma Aldrich - 298964

Packaging
5, 25 g in glass bottle

Toronto Research Chemicals - D455285

N,N'-Diisopropylethylenediamine is used in combinatorial polymerization method for manufacture of poly(beta-amino alcohols).