Product Name

  • Name

    4-Aminobenzoic acid 4-aminophenyl ester

  • EINECS 810-934-8
  • CAS No. 20610-77-9
  • Article Data5
  • CAS DataBase
  • Density 1.287 g/cm3
  • Solubility
  • Melting Point 179.0 to 183.0 °C
  • Formula C13H12N2O2
  • Boiling Point 465.646 °C at 760 mmHg
  • Molecular Weight 228.25
  • Flash Point 254.224 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 20610-77-9 (4-Aminobenzoic acid 4-aminophenyl ester)
  • Hazard Symbols
  • Synonyms Phenol, 4-amino-,4-aminobenzoate (ester) (9CI);Phenol, p-amino-, p-aminobenzoate (ester) (8CI);4-Aminophenyl-4-aminobenzoate;p-Aminophenyl p-aminobenzoate;4-Aminobenzoic acid 4-aminophenyl ester;
  • PSA 78.34000
  • LogP 3.23260

4-Aminophenyl 4-aminobenzoate Specification

The systematic name of 4-Aminophenyl 4-aminobenzoate is 4-aminophenyl 4-aminobenzoate. With the CAS registry number 20610-77-9, it is also named as 4-Aminobenzoic acid 4-aminophenyl ester. In addition, its molecular formula is C13H12N2O2 and molecular weight is 228.25.

The other characteristics of 4-Aminophenyl 4-aminobenzoate can be summarized as: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 16.76; (6)ACD/BCF (pH 7.4): 17.43; (7)ACD/KOC (pH 5.5): 258.79; (8)ACD/KOC (pH 7.4): 269.25; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 78.34 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 66.36 cm3; (15)Molar Volume: 177.4 cm3; (16)Polarizability: 26.31×10-24cm3; (17)Surface Tension: 61.2 dyne/cm; (18)Density: 1.286 g/cm3; (19)Flash Point: 254.2 °C; (20)Enthalpy of Vaporization: 72.73 kJ/mol; (21)Boiling Point: 465.6 °C at 760 mmHg; (22)Vapour Pressure: 7.56E-09 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(Oc1ccc(N)cc1)c2ccc(N)cc2
(2)InChI: InChI=1/C13H12N2O2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H,14-15H2
(3)InChIKey: LOCTYHIHNCOYJZ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C13H12N2O2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H,14-15H2
(5)Std. InChIKey: LOCTYHIHNCOYJZ-UHFFFAOYSA-N

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