CAS No.253863-00-2,L778123 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	253863-00-2
Name:	L778123

Formula:	C₂₂H₂₁Cl₂N₅O
Molecular Weight:	442.341
Synonyms:	Benzonitrile,4-[[5-[[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]methyl]-1H-imidazol-1-yl]methyl]-,monohydrochloride (9CI);4-((5-((4-(3-Chlorophenyl)-3-oxo-1-piperazinyl)methyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride;
Boiling Point:	698.9 °C at 760 mmHg
Flash Point:	376.5 °C
PSA:	65.16000
LogP:	4.11018

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Chemistry

IUPAC Name: 4-[[5-[[4-(3-Chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile hydrochloride
Synonyms of L 778123 (CAS NO.253863-00-2 ): 4-((5-((4-(3-Chlorophenyl)-3-oxo-1-piperazinyl)methyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride ; Benzonitrile, 4-((5-((4-(3-chlorophenyl)-3-oxo-1-piperazinyl)methyl)-1H-imidazol-1-yl)methyl)-, monohydrochloride
CAS NO: 253863-00-2
Molecular Formula: C₂₂H₂₁Cl₂N₅O
Molecular Weight: 442.341
Molecular Structure:
H bond acceptors: 6
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 65.16 Å²
Flash Point: 376.5 °C
Enthalpy of Vaporization: 102.32 kJ/mol
Boiling Point: 698.9 °C at 760 mmHg
Vapour Pressure: 2.22E-19 mmHg at 25°C
SMILES: Cl.N#Cc1ccc(cc1)Cn2c(cnc2)CN4CC(=O)N(c3cccc(Cl)c3)CC4
InChI: InChI=1/C22H20ClN5O.ClH/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18;/h1-7,10,12,16H,8-9,13-15H2;1H
InChIKey: YNBSQYGTJLIPJS-UHFFFAOYAA
Std. InChI: InChI=1S/C22H20ClN5O.ClH/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18;/h1-7,10,12,16H,8-9,13-15H2;1H
Std. InChIKey: YNBSQYGTJLIPJS-UHFFFAOYSA-N