Product Name

  • Name

    1-[(1-Naphthylimino)methyl]-2-naphthol

  • EINECS
  • CAS No. 29101-37-9
  • Article Data5
  • CAS DataBase
  • Density 1.15 g/cm3
  • Solubility
  • Melting Point
  • Formula C21H15NO
  • Boiling Point 526.8 °C at 760 mmHg
  • Molecular Weight 297.356
  • Flash Point 353.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 29101-37-9 (1-[(1-Naphthylimino)methyl]-2-naphthol)
  • Hazard Symbols
  • Synonyms 1-(1-Naphthyliminomethyl)naphthalen-2-ol;
  • PSA 32.59000
  • LogP 5.44920

1-[(1-Naphthylimino)methyl]-2-naphthol Specification

The CAS registry number of 1-[(1-Naphthylimino)methyl]-2-naphthol is 29101-37-9. This chemical's molecular formula is C21H15NO and molecular weight is 297.3499. What's more, both its IUPAC name and systematic name are the same which is called 1-(1-Naphthyliminomethyl)naphthalen-2-ol.

Physical properties about 1-[(1-Naphthylimino)methyl]-2-naphthol are: (1)ACD/LogP: 5.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.55; (4)ACD/LogD (pH 7.4): 5.5; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 32.59 Å2; (9)Index of efraction: 1.639; (10)Molar Refractivity: 93.03 cm3; (11)Molar Volume: 258.5 cm3; (12)Surface Tension: 45.4 dyne/cm; (13)Density: 1.15 g/cm3; (14)Flash Point: 353.9 °C; (15)Enthalpy of Vaporization: 83.14 kJ/mol; (16)Boiling Point: 526.8 °C at 760 mmHg; (17)Vapour Pressure: 1.03E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2c(c1)cccc2N=Cc3c4ccccc4ccc3O
(2) InChI: InChI=1/C21H15NO/c23-21-13-12-16-7-1-3-9-17(16)19(21)14-22-20-11-5-8-15-6-2-4-10-18(15)20/h1-14,23H
(3) InChIKey: CFVMLACBKWKHEP-UHFFFAOYAR

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