CAS No.131-10-2,berbine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	131-10-2
Name:	berbine

Formula:	C₁₇H₁₇N
Molecular Weight:	235.329
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)-;
Density:	1.17 g/cm³
Melting Point:	85-86 ºC
Boiling Point:	354.2 °C at 760 mmHg
Flash Point:	151.8 °C
PSA:	3.24000
LogP:	3.28000

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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