HCG 917 supplier | CasNO.67568-62-1

Name
HCG 917
EINECS
CAS No. 67568-62-1
Density
Solubility
Melting Point
Formula C₂₀H₂₃Cl₂N₃O₂·ClH
Boiling Point 569.9 °C at 760 mmHg
Molecular Weight 444.78
Flash Point 298.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzaldehyde, 4-chloro-, O-[3-[4-(2-chlorophenyl)-1-piperazinyl]-2-hydroxypropyl]oxime, monohydrochloride (9CI);
PSA 48.30000
LogP 4.33190

HCG 917 Specification

The HCG 917, with the CAS registry number 67568-62-1, is also known as Benzaldehyde, 4-chloro-, O-[3-[4-(2-chlorophenyl)-1-piperazinyl]-2-hydroxypropyl]oxime, monohydrochloride (9CI). This chemical's molecular formula is C₂₀H₂₃Cl₂N₃O₂·ClH and molecular weight is 444.78. What's more, its systematic name is 1-{[(4-Chlorobenzylidene)amino]oxy}-3-[4-(2-chlorophenyl)-1-piperazinyl]-2-propanol hydrochloride (1:1).

Physical properties of HCG 917 are: (1)ACD/LogP: 5.814; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.31; (4)ACD/LogD (pH 7.4): 5.80; (5)ACD/BCF (pH 5.5): 4884.63; (6)ACD/BCF (pH 7.4): 15038.34; (7)ACD/KOC (pH 5.5): 10963.18; (8)ACD/KOC (pH 7.4): 33752.39; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 37.3 Å²; (13)Flash Point: 298.5 °C; (14)Enthalpy of Vaporization: 89.94 kJ/mol; (15)Boiling Point: 569.9 °C at 760 mmHg; (16)Vapour Pressure: 7.94E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Clc1ccc(cc1)\C=N\OCC(O)CN3CCN(c2ccccc2Cl)CC3
(2)Std. InChI: InChI=1S/C20H23Cl2N3O2.ClH/c21-17-7-5-16(6-8-17)13-23-27-15-18(26)14-24-9-11-25(12-10-24)20-4-2-1-3-19(20)22;/h1-8,13,18,26H,9-12,14-15H2;1H/b23-13+;
(3)Std. InChIKey: DLUQJUVGGMCENE-PUZWSPMBSA-N

Product Name

HCG 917

HCG 917 Specification

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