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(-)-Berbine

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Name

(-)-Berbine

EINECS N/A
CAS No. 131-10-2 Density 1.17 g/cm3
PSA 3.24000 LogP 3.28000
Solubility N/A Melting Point 85-86 ºC
Formula C17H17N Boiling Point 354.2 °C at 760 mmHg
Molecular Weight 235.329 Flash Point 151.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 131-10-2 (berbine) Hazard Symbols N/A
Synonyms

(-)-Berbine;(-)-Tetrahydroprotoberberine;(13aS)-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline;6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-, (S)-;

 

(-)-Berbine Specification

The Berbine, with the CAS registry number 131-10-2, has the systematic name of (13aS)-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline. And the molecular formula of this chemical is C17H17N. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Berbine are as following: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 3.65; (5)ACD/BCF (pH 5.5): 5.04; (6)ACD/BCF (pH 7.4): 252.74; (7)ACD/KOC (pH 5.5): 24.93; (8)ACD/KOC (pH 7.4): 1248.85; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 74.37 cm3; (15)Molar Volume: 200.9 cm3; (16)Polarizability: 29.48×10-24cm3; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 151.8 °C; (20)Enthalpy of Vaporization: 59.92 kJ/mol; (21)Boiling Point: 354.2 °C at 760 mmHg; (22)Vapour Pressure: 3.41E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c14c(cccc1)C[C@H]3c2c(cccc2)CCN3C4
(2)InChI: InChI=1/C17H17N/c1-2-7-15-12-18-10-9-13-5-3-4-8-16(13)17(18)11-14(15)6-1/h1-8,17H,9-12H2/t17-/m0/s1
(3)InChIKey: BRLDZKPJJNASGG-KRWDZBQOBN

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