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Stephanine

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Name

Stephanine

EINECS N/A
CAS No. 517-63-5 Density 1.268 g/cm3
PSA 30.93000 LogP 3.11390
Solubility N/A Melting Point N/A
Formula C19H19NO3 Boiling Point 463.6 °C at 760 mmHg
Molecular Weight 309.363 Flash Point 140.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 517-63-5 (Stephanine) Hazard Symbols N/A
Synonyms

5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-9-methoxy-7-methyl-, (R)-;5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]- quinoline,6,7,7a,8-tetrahydro-9-methoxy-7- methyl-,(7aR)-;

 

Stephanine Specification

The CAS register number of Stephanine is 517-63-5. It also can be called as 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-9-methoxy-7-methyl-, (R)- and the systematic name about this chemical is (7aR)-9-methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline. The molecular formula about this chemical is C19H19NO3 and the molecular weight is 309.363. It belongs to the following product category which includes Miscellaneous Natural Products.

Physical properties about Stephanine are: (1)ACD/LogP: 4.16; (2)ACD/LogD (pH 5.5): 2.49; (3)ACD/LogD (pH 7.4): 3.96; (4)ACD/BCF (pH 5.5): 18.41; (5)ACD/BCF (pH 7.4): 538.26; (6)ACD/KOC (pH 5.5): 93.93; (7)ACD/KOC (pH 7.4): 2746.09; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 30.93 Å2; (11)Index of Refraction: 1.631; (12)Molar Refractivity: 86.94 cm3; (13)Molar Volume: 243.9 cm3; (14)Polarizability: 34.46x10-24cm3; (15)Surface Tension: 48.5 dyne/cm; (16)Density: 1.268 g/cm3; (17)Flash Point: 140.4 °C; (18)Enthalpy of Vaporization: 72.48 kJ/mol; (19)Boiling Point: 463.6 °C at 760 mmHg; (20)Vapour Pressure: 8.99E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1c2c(OC1)c4c3c(c2)CCN([C@@H]3Cc5c(OC)cccc45)C
(2)InChI: InChI=1/C19H19NO3/c1-20-7-6-11-8-16-19(23-10-22-16)18-12-4-3-5-15(21-2)13(12)9-14(20)17(11)18/h3-5,8,14H,6-7,9-10H2,1-2H3/t14-/m1/s1
(3)InChIKey: UEAPAHNNFSZHMW-CQSZACIVBH
(4)Std. InChI: InChI=1S/C19H19NO3/c1-20-7-6-11-8-16-19(23-10-22-16)18-12-4-3-5-15(21-2)13(12)9-14(20)17(11)18/h3-5,8,14H,6-7,9-10H2,1-2H3/t14-/m1/s1
(5)Std. InChIKey: UEAPAHNNFSZHMW-CQSZACIVSA-N

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