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80821-34-7

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Basic Information
CAS No.: 80821-34-7
Name: Morpholine,4,4'-[4,5-dihydro-1-(4-nitrophenyl)-2-phenyl-1H-imidazole-4,5-diyl]bis-, trans-(9CI)
Molecular Structure:
Molecular Structure of 80821-34-7 (Morpholine,4,4'-[4,5-dihydro-1-(4-nitrophenyl)-2-phenyl-1H-imidazole-4,5-diyl]bis-, trans-(9CI))
Formula: C23H27N5O4
Molecular Weight: 437.4916
Synonyms: NSC 343997;4,4'-[(4R,5R)-1-(4-Nitrophenyl)-2-phenyl-4,5-dihydro-1H-imidazole-4,5-diyl]dimorpholine;
Density: 1.38 g/cm3
Boiling Point: 615.6 °C at 760 mmHg
Flash Point: 326.1 °C
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  • Morpholine,4,4'-[4,5-dihydro-1-(4-nitrophenyl)-2-phenyl-1H-imidazole-4,5-diyl]bis-, trans-(9CI)

  • Casno:

    80821-34-7

    Morpholine,4,4'-[4,5-dihydro-1-(4-nitrophenyl)-2-phenyl-1H-imidazole-4,5-diyl]bis-, trans-(9CI)

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 3.0-3.0

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Specification

The Morpholine,4,4'-[4,5-dihydro-1-(4-nitrophenyl)-2-phenyl-1H-imidazole-4,5-diyl]bis-, trans-(9CI), with the CAS registry number 80821-34-7, is also known as 4,4'-[(4R,5R)-1-(4-Nitrophenyl)-2-phenyl-4,5-dihydro-1H-imidazole-4,5-diyl]dimorpholine. This chemical's molecular formula is C23H27N5O4 and molecular weight is 437.4916. What's more, both its IUPAC name and systematic name are the same which is called 4-[(4R,5R)-5-Morpholin-4-yl-1-(4-nitrophenyl)-2-phenyl-4,5-dihydroimidazol-4-yl]morpholine.

Physical properties about Morpholine,4,4'-[4,5-dihydro-1-(4-nitrophenyl)-2-phenyl-1H-imidazole-4,5-diyl]bis-, trans-(9CI) are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 9; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 86.36 Å2; (7)Index of Refraction: 1.679; (8)Molar Refractivity: 119.16 cm3; (9)Molar Volume: 315.3 cm3; (10)Surface Tension: 59 dyne/cm; (11)Density: 1.38 g/cm3; (12)Flash Point: 326.1 °C; (13)Enthalpy of Vaporization: 91.32 kJ/mol; (14)Boiling Point: 615.6 °C at 760 mmHg; (15)Vapour Pressure: 4.36E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c5ccc(N2\C(=N/[C@@H](N1CCOCC1)[C@@H]2N3CCOCC3)c4ccccc4)cc5
(2) InChI: InChI=1/C23H27N5O4/c29-28(30)20-8-6-19(7-9-20)27-21(18-4-2-1-3-5-18)24-22(25-10-14-31-15-11-25)23(27)26-12-16-32-17-13-26/h1-9,22-23H,10-17H2/t22-,23+/m0/s1
(3) InChIKey: CFSHTQUPKCXCQD-XZOQPEGZBW