Product Name

  • Name

    AT9283

  • EINECS
  • CAS No. 896466-04-9
  • Article Data5
  • CAS DataBase
  • Density 1.45 g/cm3
  • Solubility
  • Melting Point
  • Formula C19H23N7O2
  • Boiling Point
  • Molecular Weight 381.437
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 896466-04-9 (AT9283)
  • Hazard Symbols
  • Synonyms Urea, N-cyclopropyl-N'-[3-[6-(4-morpholinylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-;
  • PSA 110.96000
  • LogP 2.47090

1-Cyclopropyl-3-(3-(5-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)urea Specification

The systematic name of 1-Cyclopropyl-3-(3-(5-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)urea is 1-cyclopropyl-3-[3-[5-(morpholinomethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea. With the CAS registry number 896466-04-9, it is also named as Urea, N-cyclopropyl-N'-[3-[6-(4-morpholinylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-. In addition, its molecular formula is C19H23N7O2 and its molecular weight is 381.43.

The other characteristics of 1-Cyclopropyl-3-(3-(5-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)urea can be summarized as: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.63; (4)H bond acceptors: 9; (5)H bond donors: 4; (6)Freely Rotating Bonds: 5; (7)Nominal mass: 381; (8)Average mass: 381.4316; (9)Monoisotopic mass: 381.191323; (10)Polar Surface Area: 110.96 Å2; (11)Index of Refraction: 1.714; (12)Molar Refractivity: 103.06 cm3; (13)Molar Volume: 262.4 cm3; (14)Polarizability: 40.85×10-24cm3; (15)Surface Tension: 86.5 dyne/cm; (16)Density: 1.45 g/cm3.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5
(2)InChI:InChI=1/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
(3)InChIKey:LOLPPWBBNUVNQZ-UHFFFAOYAT
(4)Std. InChI:InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
(5)Std. InChIKey:LOLPPWBBNUVNQZ-UHFFFAOYSA-N

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