(2-aminoethyl)bis(propan-2-yl)amine

• ChemBase ID: 74497
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: N(CCN)(C(C)C)C(C)C
• Canonical SMILES: NCCN(C(C)C)C(C)C
• InChI: InChI=1S/C8H20N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6,9H2,1-4H3
• InChIKey: CURJNMSGPBXOGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)bis(propan-2-yl)amine
• IUPAC Traditional name: (2-aminoethyl)diisopropylamine
• Synonyms: N,N-Bis(isopropyl)ethylenediamine; N,N-Bis(prop-2-yl)ethane-1,2-diamine; 1-Amino-2-[bis(isopropyl)amino]ethane; N,N-Bis(isopropyl)ethane-1,2-diamine; 2-DIISOPROPYLAMINOETHYLAMINE; 2-(Diisopropylamino)ethylamine; N,N-Diisopropylethylenediamine; N1,N1-Diisopropylethane-1,2-diamine; N,N-Diisopropylethylenediamine; 2-(Diisopropylamino)ethylamine; 2-(二异丙氨基)乙胺; N,N-二异丙基乙二胺

Database IDs

• CAS Number: 121-05-1
• EC Number: 204-447-4
• MDL Number: MFCD00015015
• Beilstein Number: 1734800
• PubChem SID: 162039416; 24863945
• PubChem CID: 8459

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9245703
• LogD (pH = 7.4): -1.8843056
• Log P: 0.9399516
• Molar Refractivity: 46.2727 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 170°C; 170°C
• Flash Point: 129.2 °F; 54 °C; 54°C; 54°C(129°F)
• Density: 0.828; 0.830; 0.830 g/mL at 20 °C(lit.)
• Refractive Index: 1.4420; 1.4430; n20/D 1.443

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Flammable/Air Sensitive/Moisture Sensitive/Hygroscopic/Store under Argon
• RTECS: KV4200000
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 2734; UN2733
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2; III
• Risk Statements: 10-34; 10-37/38
• Safety Statements: 20-23-26-36/37/39-45-60; 23-28
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H335; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2734 8/PG 2

Product Information

• Purity: ≥97.0% (GC); 97%
• Linear Formula: [(CH3)2CH]2NCH2CH2NH2