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70312-00-4

Basic Information
CAS No.: 70312-00-4
Name: 2-Naphthalenol,5,6,7,8-tetrahydro-6-[4-(2-methylphenyl)-1-piperazinyl]-
Molecular Structure:
Molecular Structure of 70312-00-4 (2-Naphthalenol,5,6,7,8-tetrahydro-6-[4-(2-methylphenyl)-1-piperazinyl]-)
Formula: C21H26N2O
Molecular Weight: 322.45
Synonyms: BK 34/530;Tolnapersine;
EINECS: N/A
Density: 1.162g/cm3
Melting Point: N/A
Boiling Point: 505.4 °C at 760 mmHg
Flash Point: 263.1 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 26.71000
LogP: 3.38300
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    Tolnapersine Molecular Formula C21H26N2O Molecular Weight 322.44 CAS Registry Number 70312-00-4Appearance:white crystalline powder, odorless, little bitter taste Storage:Store in cool and dry places, keep away from light Package:25kg/fiber drum;In

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Specification

The Tolnapersine, with CAS registry number 70312-00-4, has the systematic name of 6-[4-(2-methylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol. And its IUPAC name is the same one. Besides this, it is also called 5,6,7,8-Tetrahydro-6-(4-o-tolyl-1-piperazinyl)-2-naphthol. And the chemical formula of this chemical is C21H26N2O.

Physical properties of Tolnapersine: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 3.87; (5)ACD/BCF (pH 5.5): 15.29; (6)ACD/BCF (pH 7.4): 451.47; (7)ACD/KOC (pH 5.5): 80.67; (8)ACD/KOC (pH 7.4): 2381.78; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 97.81 cm3; (15)Molar Volume: 277.3 cm3; (16)Polarizability: 38.77×10-24cm3; (17)Surface Tension: 51 dyne/cm; (18)Enthalpy of Vaporization: 80.44 kJ/mol; (19)Vapour Pressure: 7.78E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc4c(c1)CCC(N3CCN(c2ccccc2C)CC3)C4
(2)InChI: InChI=1/C21H26N2O/c1-16-4-2-3-5-21(16)23-12-10-22(11-13-23)19-8-6-18-15-20(24)9-7-17(18)14-19/h2-5,7,9,15,19,24H,6,8,10-14H2,1H3
(3)InChIKey: ZYGBSDBJSDMKLV-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C21H26N2O/c1-16-4-2-3-5-21(16)23-12-10-22(11-13-23)19-8-6-18-15-20(24)9-7-17(18)14-19/h2-5,7,9,15,19,24H,6,8,10-14H2,1H3
(5)Std. InChIKey: ZYGBSDBJSDMKLV-UHFFFAOYSA-N