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| CAS No.: | 535-26-2 |
|---|---|
| Name: | APOHYOSCINE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C17H19NO3 |
| Molecular Weight: | 285.343 |
| Synonyms: | 1aH,5aH-Tropan-3a-ol, 6b,7b-epoxy-, atropate (ester) (8CI);Aposcopolamine(6CI,7CI);Apohyoscine;Aposcopolamin; |
| Density: | 1.25 g/cm3 |
| Melting Point: | 95-98 °C |
| Boiling Point: | 415.5 °C at 760 mmHg |
| Flash Point: | 205.1 °C |
| PSA: | 42.07000 |
| LogP: | 1.79330 |
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- Total:22 Page 1 of 1 1
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Specification
The Apohyoscine, with the CAS registry number 535-26-2, is also known 1alphaH,5alphaH-Tropan-3alpha-ol,6beta,7beta-epoxy-,atropate (ester).This chemical's molecular formula is C17H19NO3 and molecular weight is 285.34 .It belongs to the product Organic matters; Medicine material.What's more,Its systematic name is Benzeneacetic acid,a-methylene-,(1a,2b,4b,5a,7b)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-ylester.
Physical properties about Apohyoscine are: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 0.6; (3)ACD/LogD (pH 7.4): 2.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 22.26; (6)ACD/KOC (pH 5.5): 3.92; (7)ACD/KOC (pH 7.4): 199.88; (8)#H bond acceptors: 4 ; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 42.07 Å2; (11)Index of Refraction: 1.604; (12)Molar Refractivity: 78.46 cm3; (13)Molar Volume: 228.1 cm3; (14)Polarizability: 31.1 ×10-24cm3; (15)Surface Tension: 48.9 dyne/cm ; (16)Density: 1.25 g/cm3; (17)Flash Point: 205.1 °C; (18)Enthalpy of Vaporization: 66.86 kJ/mol; (19)Boiling Point: 415.5 °C at 760 mmHg; (20)Vapour Pressure: 4.11E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1CC2N(C(C1)C3OC23)C)C(\c4ccccc4)=C;
(2)InChI: InChI=1/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3;
(3)InChIKey: JJNVDCBKBUSUII-UHFFFAOYAK;