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Dapiprazole hydrochloride

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Name

Dapiprazole hydrochloride

EINECS N/A
CAS No. 72822-13-0 Density 1.22 g/cm3
PSA 37.19000 LogP 2.29040
Solubility N/A Melting Point 206-207°
Formula C19H27N5.ClH Boiling Point 538.9 °C at 760 mmHg
Molecular Weight 361.91 Flash Point 279.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 72822-13-0 (DAPIPRAZOLEHYDROCHLORIDE) Hazard Symbols N/A
Synonyms

1,2,4-Triazolo[4,3-a]pyridine,5,6,7,8-tetrahydro-3-[2-[4-(2-methylphenyl)-1-piperazinyl]ethyl]-,monohydrochloride (9CI);AF 2139;Glamidolo;Rev-Eyes;Reversil;

 

Dapiprazole hydrochloride Specification

The cas register number of Dapiprazole hydrochloride is 72822-13-0. It also can be called as 5,6,7,8-Tetrahydro-3-(2-(4-o-tolyl-1-piperazinyl)ethyl)-s-triazolo(4,3-a)pyridine monohydrochloride and the Systematic name about this chemical is 1,2,4-Triazolo(4,3-a)pyridine, 5,6,7,8-tetrahydro-3-(2-(4-(2-methylphenyl)-1-piperazinyl)ethyl)-, monohydrochloride.

Physical properties about Dapiprazole hydrochloride are: (1)ACD/LogP: 2.44 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.24 ; (4)ACD/LogD (pH 7.4): 2.36 ; (5)ACD/BCF (pH 5.5): 2.64; (6)ACD/BCF (pH 7.4): 35.22; (7)ACD/KOC (pH 5.5): 31.76; (8)ACD/KOC (pH 7.4): 424.3; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.19Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 97.7 cm3; (15)Molar Volume: 265.2 cm3; (16)Surface Tension: 49.3 dyne/cm; (17)Density: 1.22 g/cm3; (18)Flash Point: 279.7 °C; (19)Enthalpy of Vaporization: 81.62 kJ/mol; (20)Boiling Point: 538.9 °C at 760 mmHg; (21)Vapour Pressure: 1.11E-11 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: n1nc(n2c1CCCC2)CCN4CCN(c3ccccc3C)CC4
2.InChI: InChI=1/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3 
3.InChIKey: RFWZESUMWJKKRN-UHFFFAOYAD
4.Std. InChI: InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3.

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