(4-aminobutyl)diethylamine

• ChemBase ID: 10696
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: C(N(CCCCN)CC)C
• Canonical SMILES: NCCCCN(CC)CC
• InChI: InChI=1S/C8H20N2/c1-3-10(4-2)8-6-5-7-9/h3-9H2,1-2H3
• InChIKey: JILXUIANNUALRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminobutyl)diethylamine
• IUPAC Traditional name: (4-aminobutyl)diethylamine
• Synonyms: 4-(Diethylamino)butylamine; N,N-Diethyl-1,4-butanediamine; 4-(Diethylamino)butylamine; N,N'-DIETHYLBUTANE-1,4-DIAMINE; N,N-二乙基-1,4-丁二胺

Database IDs

• CAS Number: 27431-62-5
• EC Number: 248-456-1
• MDL Number: MFCD00014836
• PubChem SID: 160974003
• PubChem CID: 117976

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.820497
• LogD (pH = 7.4): -4.734128
• Log P: 0.684124
• Molar Refractivity: 46.9451 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 55°C/ 3mm; 72-24°C/10mm
• Density: 0.83

Safety Information

• Storage Warning: Air & Moisture Sensitive; CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 96%; 97%

DETAILS

MP Biomedicals - 05205156

MP Biomedicals Rare Chemical collection