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CAS No.: | 22324-83-0 |
---|---|
Name: | (+/-)-Cryptostyline III |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C21H27NO5 |
Molecular Weight: | 373.449 |
Synonyms: | Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-, (?à)- (8CI);(?à)-Cryptostyline III; |
Density: | 1.126 g/cm3 |
Melting Point: | 140-141 °C |
Boiling Point: | 462.5 °C at 760 mmHg |
Flash Point: | 128 °C |
PSA: | 49.39000 |
LogP: | 3.24480 |
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The (+/-)-Cryptostyline III is an organic compound with the formula C21H27NO5. The systematic name of this chemical is 6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline. With the CAS registry number 22324-83-0, it is also named as 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)isoquinoline.
Physical properties about (+/-)-Cryptostyline III are: (1)ACD/LogP: 2.58; (2)#H bond acceptors: 6; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 49.39 Å2; (5)Index of Refraction: 1.543; (6)Molar Refractivity: 104.53 cm3; (7)Molar Volume: 331.5 cm3; (8)Polarizability: 41.44×10-24cm3; (9)Surface Tension: 38.1 dyne/cm; (10)Density: 1.126 g/cm3; (11)Flash Point: 128 °C; (12)Enthalpy of Vaporization: 72.35 kJ/mol; (13)Boiling Point: 462.5 °C at 760 mmHg; (14)Vapour Pressure: 9.85E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(cc(OC)c1OC)C3c2c(cc(OC)c(OC)c2)CCN3C)C
(2)InChI: InChI=1/C21H27NO5/c1-22-8-7-13-9-16(23-2)17(24-3)12-15(13)20(22)14-10-18(25-4)21(27-6)19(11-14)26-5/h9-12,20H,7-8H2,1-6H3
(3)InChIKey: WAXADPYOTKIQBY-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C21H27NO5/c1-22-8-7-13-9-16(23-2)17(24-3)12-15(13)20(22)14-10-18(25-4)21(27-6)19(11-14)26-5/h9-12,20H,7-8H2,1-6H3
(5)Std. InChIKey: WAXADPYOTKIQBY-UHFFFAOYSA-N