Product Name

  • Name

    7,8-Dimethoxy-3-(3-iodopropyl)-1,3-dihydro-2H-3-benzazepin-2-one

  • EINECS 604-658-5
  • CAS No. 148870-57-9
  • Article Data7
  • CAS DataBase
  • Density 1.514 g/cm3
  • Solubility
  • Melting Point
  • Formula C15H18INO3
  • Boiling Point 504.51 °C at 760 mmHg
  • Molecular Weight 387.217
  • Flash Point 258.919 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 148870-57-9 (7,8-Dimethoxy-3-(3-iodopropyl)-1,3-dihydro-2H-3-benzazepin-2-one)
  • Hazard Symbols
  • Synonyms 1,3-Dihydro-3-(3-iodopropyl)-7,8-dimethoxy-2H-3-Benzazepin-2-one;3-(3-Iodopropyl)-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one;
  • PSA 38.77000
  • LogP 2.82220

7,8-Dimethoxy-3-(3-iodopropyl)-1,3-dihydro-2H-3-benzazepin-2-one Specification

The systematic name of 2H-3-Benzazepin-2-one,1,3-dihydro-3-(3-iodopropyl)-7,8-dimethoxy- is 3-(3-iodopropyl)-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one. With the CAS registry number 148870-57-9, it is also named as 7,8-Dimethoxy-3-(3-iodopropyl)-1,3-dihydro-2H-3-benzazepin-2-one. In addition, its molecular formula is C15H18INO3 and molecular weight is 387.2128.

The other characteristics of 2H-3-Benzazepin-2-one,1,3-dihydro-3-(3-iodopropyl)-7,8-dimethoxy- can be summarized as: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)ACD/BCF (pH 5.5): 579.11; (6)ACD/BCF (pH 7.4): 579.11; (7)ACD/KOC (pH 5.5): 3305.13; (8)ACD/KOC (pH 7.4): 3305.13; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 86.62 cm3; (15)Molar Volume: 255.7 cm3; (16)Polarizability: 34.34×10-24cm3; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.513 g/cm3; (19)Flash Point: 258.9 °C; (20)Enthalpy of Vaporization: 77.4 kJ/mol; (21)Boiling Point: 504.5 °C at 760 mmHg; (22)Vapour Pressure: 2.64E-10 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: COc1cc2\C=C/N(CCCI)C(=O)Cc2cc1OC
(2)InChI: InChI=1/C15H18INO3/c1-19-13-8-11-4-7-17(6-3-5-16)15(18)10-12(11)9-14(13)20-2/h4,7-9H,3,5-6,10H2,1-2H3
(3)InChIKey: VWPSZWNLEFZFQB-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C15H18INO3/c1-19-13-8-11-4-7-17(6-3-5-16)15(18)10-12(11)9-14(13)20-2/h4,7-9H,3,5-6,10H2,1-2H3
(5)Std. InChIKey: VWPSZWNLEFZFQB-UHFFFAOYSA-N 

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