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1,2-Benzenediamine,N1-[(4-methoxyphenyl)methyl]-

  • Name 1,2-Benzenediamine,N1-[(4-methoxyphenyl)methyl]-
  • EINECSN/A
  • CAS No. 5729-16-8
  • Density1.165g/cm3
  • PSA47.28000
  • LogP3.54370
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC14H16N2O
  • Boiling Point397.7 °C at 760 mmHg
  • Molecular Weight228.294
  • Flash Point194.3 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 5729-16-8 (CHEMBRDG-BB 9071320)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data11

1,2-Benzenediamine,N1-[(4-methoxyphenyl)methyl]- Specification

The 1,2-Benzenediamine,N1-[(4-methoxyphenyl)methyl]-, with CAS registry number 5729-16-8, has the systematic name of N-(4-methoxybenzyl)benzene-1,2-diamine. Besides this, it is also called (2-Aminophenyl)(4-methoxybenzyl)amine. And the chemical formula of this chemical is C14H16N2O.

Physical properties of 1,2-Benzenediamine,N1-[(4-methoxyphenyl)methyl]-: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 15.71 Å2; (7)Index of Refraction: 1.647; (8)Molar Refractivity: 71.26 cm3; (9)Molar Volume: 195.8 cm3; (10)Polarizability: 28.25×10-24cm3; (11)Surface Tension: 49.9 dyne/cm; (12)Density: 1.165 g/cm3; (13)Flash Point: 194.3 °C; (14)Enthalpy of Vaporization: 64.82 kJ/mol; (15)Boiling Point: 397.7 °C at 760 mmHg; (16)Vapour Pressure: 1.56E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)CNc2ccccc2N)C
(2)InChI: InChI=1/C14H16N2O/c1-17-12-8-6-11(7-9-12)10-16-14-5-3-2-4-13(14)15/h2-9,16H,10,15H2,1H3
(3)InChIKey: WLHZVTMHNONISE-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C14H16N2O/c1-17-12-8-6-11(7-9-12)10-16-14-5-3-2-4-13(14)15/h2-9,16H,10,15H2,1H3
(5)Std. InChIKey: WLHZVTMHNONISE-UHFFFAOYSA-N

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