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Lycodoline

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Name

Lycodoline

EINECS N/A
CAS No. 6900-92-1 Density 1.193 g/cm3
PSA 40.54000 LogP 1.91890
Solubility N/A Melting Point 180-181℃
Formula C16H25NO2 Boiling Point 412.67 °C at 760 mmHg
Molecular Weight 263.38 Flash Point 203.376 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6900-92-1 (Lycodoline) Hazard Symbols N/A
Synonyms

Lycopodan-5-one, 12-hydroxy-15-methyl-, (15R)-;1,9-Ethanobenzo[i]quinolizine, lycopodan-5-one deriv.;Lycodoline(7CI,8CI);

 

Lycodoline Specification

This chemical is called 1,9-Ethanobenzo[i]quinolizin-14-one,dodecahydro-8a-hydroxy-11-methyl-, (1S,8aS,9S,11R,12aS)-, and its systematic name is (15R)-12-hydroxy-15-methyllycopodan-5-one. With the molecular formula of C16H25NO2, its molecular weight is 263.38. The CAS registry number of this chemical is 6900-92-1.

Other characteristics of the 1,9-Ethanobenzo[i]quinolizin-14-one,dodecahydro-8a-hydroxy-11-methyl-, (1S,8aS,9S,11R,12aS)- can be summarised as followings: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 63; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.54 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 73.444 cm3; (15)Molar Volume: 220.828 cm3; (16)Polarizability: 29.116×10-24cm3; (17)Surface Tension: 50.241 dyne/cm; (18)Density: 1.193 g/cm3; (19)Flash Point: 203.376 °C; (20)Enthalpy of Vaporization: 76.87 kJ/mol; (21)Boiling Point: 412.67 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C3C[C@@H]1C[C@@H](C)C[C@@]24N(CCC[C@]12O)CCC[C@H]34
2.InChI: InChI=1/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-16(12,19)15(13,17)10-11/h11-13,19H,2-10H2,1H3/t11-,12+,13-,15+,16+/m1/s1 
3.InChIKey: DBMXKPOCXQNWOQ-WALBABNVBR

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