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4-Amino-4'-methoxydiphenylamine

  • Name 4-Amino-4'-methoxydiphenylamine
  • EINECS202-962-9
  • CAS No. 101-64-4
  • Density1.178g/cm3
  • PSA47.28000
  • LogP3.67520
  • SolubilityN/A
  • Melting Point101°C
  • FormulaC13H14N2O
  • Boiling Point210 °C / 4mmHg
  • Molecular Weight214.267
  • Flash Point188.9°C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
    Risk Statements 20/21/22-36/37/38
    Safety Statements 26-36/37/39
    RIDADR 2811
    HazardClass 6.1(a)
    PackingGroup II
  • Risk Codes20/21/22-36/37/38
  • Molecular Structure
    Molecular Structure of 101-64-4 (VARIAMINE BLUE B BASE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data25

4-Amino-4'-methoxydiphenylamine Specification

The 4-Amino-4'-methoxydiphenylamine with cas registry number of 101-64-4, has the systematic name of N-(4-methoxyphenyl)benzene-1,4-diamine. And its IUPAC name is 4-N-(4-methoxyphenyl)benzene-1,4-diamine. Besides this, it is also named 1,4-benzenediamine, N~1~-(4-methoxyphenyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 3.68; (6)ACD/BCF (pH 7.4): 5.1; (7)ACD/KOC (pH 5.5): 80.41; (8)ACD/KOC (pH 7.4): 111.58; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 66.54 cm3; (15)Molar Volume: 181.7 cm3; (16)Polarizability: 26.37×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Enthalpy of Vaporization: 63.79 kJ/mol; (19)Vapour Pressure: 3.01E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-Amino-4'-methoxydiphenylamine irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c2ccc(Nc1ccc(N)cc1)cc2)C;
(2)InChI: InChI=1/C13H14N2O/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-9,15H,14H2,1H3;
(3)InChIKey: RBLUJIWKMSZIMK-UHFFFAOYAI;
(4)Std. InChI: InChI=1S/C13H14N2O/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-9,15H,14H2,1H3;
(5)Std. InChIKey: RBLUJIWKMSZIMK-UHFFFAOYSA-N

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