dibutyl[6-(dibutylamino)hexyl]amine

• ChemBase ID: 137923
• Molecular Formular: C22H48N2
• Molecular Mass: 340.62992
• Monoisotopic Mass: 340.38174955
• SMILES: CCCCN(CCCC)CCCCCCN(CCCC)CCCC
• Canonical SMILES: CCCCN(CCCC)CCCCCCN(CCCC)CCCC
• InChI: InChI=1S/C22H48N2/c1-5-9-17-23(18-10-6-2)21-15-13-14-16-22-24(19-11-7-3)20-12-8-4/h5-22H2,1-4H3
• InChIKey: UPPIBFVZIFKMFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutyl[6-(dibutylamino)hexyl]amine
• IUPAC Traditional name: dibutyl[6-(dibutylamino)hexyl]amine
• Synonyms: N,N,N′,N′-Tetrabutyl-1,6-hexanediamine; N,N,N′,N′-四丁基-1,6-己二胺

Database IDs

• CAS Number: 27090-63-7
• EC Number: 248-219-2
• MDL Number: MFCD00192467
• PubChem SID: 162232183; 24866103
• PubChem CID: 94377

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.01895497
• LogD (pH = 7.4): 0.6504868
• Log P: 6.97087
• Molar Refractivity: 112.2136 cm^3
• Polarizability: 44.410065 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 83 °C/2 mmHg(lit.)
• Flash Point: 134.6 °F; 57 °C
• Density: 0.82 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.451(lit.)

Safety Information

• RTECS: MO1360000
• European Hazard Symbols: Corrosive (C)
• UN Number: 1992
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 22-34-43
• Safety Statements: 23-26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H314-H317
• GHS Precautionary statements: 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 1992 3/PG 3

Product Information

• Purity: 96%
• Linear Formula: [-(CH2)3N[(CH2)3CH3]2]2