(2-aminoethyl)dibutylamine

• ChemBase ID: 302245
• Molecular Formular: C10H24N2
• Molecular Mass: 172.31096
• Monoisotopic Mass: 172.19394878
• SMILES: CCCCN(CCCC)CCN
• Canonical SMILES: CCCCN(CCCC)CCN
• InChI: InChI=1S/C10H24N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-11H2,1-2H3
• InChIKey: PWNDYKKNXVKQJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)dibutylamine
• IUPAC Traditional name: (2-aminoethyl)dibutylamine
• Synonyms: 2-(Di-n-butylamino)ethylamine; N,N-Di-n-butylethylenediamine; N,N-二正丁基乙二胺

Database IDs

• CAS Number: 3529-09-7
• EC Number: 222-558-6
• MDL Number: MFCD00042827
• Beilstein Number: 1738440

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.859939
• LogD (pH = 7.4): -0.7057163
• Log P: 2.0409837
• Molar Refractivity: 55.6851 cm^3
• Polarizability: 22.246355 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 109-114°C/20mm
• Flash Point: 88°C(190°F)
• Density: 0.820
• Refractive Index: 1.4430

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 98%