CAS No.6882-66-2,Sophoramine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6882-66-2
Name:	Sophoramine

Formula:	C₁₅H₂₀N₂O
Molecular Weight:	244.337
Synonyms:	Matridin-15-one,11,12,13,14-tetradehydro-;Sophoramine (6CI,7CI);(-)-Sophoramine;1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one,2,3,6,7,7a,8,13b,13c-octahydro-, [7aS-(7aa,13ba,13ca)]-;11,12,13,14-tetradehydromatridin-15-one;
Density:	1.22 g/cm³
Boiling Point:	455.6 °C at 760 mmHg
Flash Point:	216.3 °C
PSA:	25.24000
LogP:	1.75780

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Specification

The Sophoramine, with the CAS registry number 6882-66-2, has the systematic name of 11,12,13,14-tetradehydromatridin-15-one. It belongs to the product category of Alkaloids. And the molecular formula of the chemical is C₁₅H₂₀N₂O.

The characteristics of Sophoramine are as followings: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.42; (4)ACD/LogD (pH 7.4): -0.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.15; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 70.73 cm³; (15)Molar Volume: 199.2 cm³; (16)Polarizability: 28.04×10^-24cm³; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 216.3 °C; (20)Enthalpy of Vaporization: 71.54 kJ/mol; (21)Boiling Point: 455.6 °C at 760 mmHg; (22)Vapour Pressure: 1.73E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1\C=C/C=C2\N1C[C@@H]4CCCN3CCC[C@H]2[C@@H]34
(2)InChI: InChI=1/C15H20N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6-7,11-12,15H,2-5,8-10H2/t11-,12+,15-/m0/s1
(3)InChIKey: MMCQRJPAMIHLQX-ZOWXZIJZBX