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152697-37-5

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Basic Information
CAS No.: 152697-37-5
Name: 2'-norlimacine
Molecular Structure:
Molecular Structure of 152697-37-5 (2'-norlimacine)
Formula: C36H38N2O6
Molecular Weight: 594.6967
Synonyms: 2-norlimacine
Density: 1.212g/cm3
Boiling Point: 720.1 °C at 760 mmHg
Flash Point: 389.3 °C
PSA: 56.55000
LogP: 3.78280
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    factory?direct?sale Application:healing drugs

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    2'-NORLIMACINE

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    2'-NORLIMACINEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 2-Norlimacine, with CAS registry number 152697-37-5, has the systematic name of (1'β)-6,6',12-trimethoxy-2-methylberbaman-7-ol. And the chemical formula of this chemical is C36H38N2O6. What's more, this chemical is isolated from the roots of Cyclea barbata.

Physical properties of 2-Norlimacine: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.68; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 35.6; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.86 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 168.4 cm3; (15)Molar Volume: 490.5 cm3; (16)Polarizability: 66.76×10-24cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.212 g/cm3; (19)Flash Point: 389.3 °C; (20)Enthalpy of Vaporization: 108.95 kJ/mol; (21)Boiling Point: 720.1 °C at 760 mmHg; (22)Vapour Pressure: 1.98E-21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc7c(OC)cc4c5c7Oc1cc2c(cc1OC)CCN[C@@H]2Cc6ccc(Oc3cc(ccc3OC)C[C@H]5N(C)CC4)cc6
(2)InChI: InChI=1/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-22-7-10-29(40-2)31(17-22)43-25-8-5-21(6-9-25)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28-/m1/s1
(3)InChIKey: QRSIKBXDEMEDLL-VSGBNLITBS
(4)Std. InChI: InChI=1S/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-22-7-10-29(40-2)31(17-22)43-25-8-5-21(6-9-25)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28-/m1/s1
(5)Std. InChIKey: QRSIKBXDEMEDLL-VSGBNLITSA-N