N,N'-Di-sec-butyl-p-phenylenediamine

• Catalog Number: ACM101962-1
• Product Name: N,N'-Di-sec-butyl-p-phenylenediamine
• CAS: 101-96-2
• Category: Amines
• Description: N,n'-di-sec-butyl-p-phenylenediamine appears as amber to red or dark reddish black liquid. (NTP, 1992);Liquid
• Synonyms: Antioxidant 22
• IUPAC Name: 1-N,4-N-Di(butan-2-yl)benzene-1,4-diamine
• Molecular Weight: 220.35
• Molecular Formula: C14H24N2
• Canonical SMILES: CCC(C)NC1=CC=C(C=C1)NC(C)CC
• InChI: InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3
• InChI Key: FSWDLYNGJBGFJH-UHFFFAOYSA-N
• Boiling Point: 159 °C
• Melting Point: 17.8 °C
• Flash Point: 100 °C
• Density: 0.942 g/mL
• Solubility: less than 1 mg/mL at 68° F (NTP, 1992);Soluble in gasoline, absolute ethanol and benzene; insoluble in water or caustic solutions;Insoluble in water; soluble in hydrocarbon solvents
• Autoignition Temperature: 625 °F (329 °C)
• Color/Form: Amber to red liquid;Reddish-brown liquid;Pale yellow oil
• Complexity: 154
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 202-992-2
• Exact Mass: 220.193948774
• Formal Charge: 0
• Hazard Statements: H315-H319-H335-H413
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• Monoisotopic Mass: 220.193948774
• NSC Number: 68417
• Physical State: Liquid
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 6
• Symbol: GHS07
• Topological Polar Surface Area: 24.1 Ų
• Undefined Atom Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• UNII: 76251WU9I2
• UN Number: 1760
• Vapor Pressure: 85.3 mm Hg at 100 °F (NTP, 1992)
• XLogP3: 4.5