Tombozine supplier | CasNO.604-99-9

Name
(+)-Normacusine B
EINECS
CAS No. 604-99-9
Article Data19
CAS DataBase
Density 1.3g/cm³
Solubility
Melting Point
Formula C₁₉H₂₂N₂O
Boiling Point 472.7 °C at 760 mmHg
Molecular Weight 294.396
Flash Point 239.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Vellosiminol;Sarpagan-17-ol;Normacusine B;10-Deoxysarpagine;
PSA 39.26000
LogP 2.96190

Tombozine Specification

The Tombozine, with CAS registry number 604-99-9, has the systematic name of (16ξ,19E)-sarpagan-17-ol. Besides this, it is also called 10-Deoxysarpagine. And the chemical formula of this chemical is C₁₉H₂₂N₂O.

Physical properties of Tombozine: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.04; (4)ACD/LogD (pH 7.4): 1.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.53; (7)ACD/KOC (pH 5.5): 1.21; (8)ACD/KOC (pH 7.4): 46.8; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.4 Å²; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 88.04 cm³; (15)Molar Volume: 226.3 cm³; (16)Polarizability: 34.9×10^-24cm³; (17)Surface Tension: 63.7 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 239.7 °C; (20)Enthalpy of Vaporization: 77.51 kJ/mol; (21)Boiling Point: 472.7 °C at 760 mmHg; (22)Vapour Pressure: 9.65E-10 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: OCC4[C@H]5\C(=C/C)CN3[C@H](c2nc1ccccc1c2C[C@H]34)C5
(2)InChI: InChI=1/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2-/t13-,15?,17+,18+/m1/s1
(3)InChIKey: VXTDUGOBAOLMED-JTZQFXNDBS
(4)Std. InChI: InChI=1S/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2-/t13-,15?,17+,18+/m1/s1
(5)Std. InChIKey: VXTDUGOBAOLMED-JTZQFXNDSA-N

Product Name

(+)-Normacusine B

Tombozine Specification

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