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

• ChemBase ID: 34852
• Molecular Formular: C5H14N2
• Molecular Mass: 102.17806
• Monoisotopic Mass: 102.11569846
• SMILES: N(C(C)C)CCN
• Canonical SMILES: NCCNC(C)C
• InChI: InChI=1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3
• InChIKey: KDRUIMNNZBMLJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(propan-2-yl)amine
• IUPAC Traditional name: (2-aminoethyl)(isopropyl)amine
• Synonyms: 2-(Isopropylamino)ethylamine; N-Isopropylethylenediamine; N-(2-Aminoethyl)-N-isopropylamine; 2-ISOPROPYLAMINOETHYLAMINE; 2-(异丙氨基)乙胺; N-异丙基乙二胺

Database IDs

• CAS Number: 19522-67-9
• EC Number: 243-125-8
• MDL Number: MFCD00008164
• Beilstein Number: 1732183
• PubChem SID: 160998159; 24895965
• PubChem CID: 88098

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.036136
• LogD (pH = 7.4): -3.0657256
• Log P: -0.2164793
• Molar Refractivity: 31.8106 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 135-137 °C; 135-137°C
• Flash Point: 42.8 °F; 6 °C; 6°C(42°F)
• Density: 0.819 g/mL at 25 °C(lit.); 0.822
• Refractive Index: 1.4369; n20/D 1.436; n20/D 1.436(lit.)

Safety Information

• Storage Warning: IRRITANT
• 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: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H314-H318; H225-H314
• 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); 98%
• Grade: purum
• Linear Formula: (CH3)2CHNHCH2CH2NH2

DETAILS

MP Biomedicals - 05207847

MP Biomedicals Rare Chemical collection

Sigma Aldrich - I22102

Packaging
1 g in glass bottle