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| CAS No.: | 50896-90-7 |
|---|---|
| Name: | (R)-(+)-Tetrahydropapaverine |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C20H25NO4 |
| Molecular Weight: | 343.423 |
| Synonyms: | Isoquinoline,1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, (R)-;(+)-1,2,3,4-Tetrahydropapaverine;(+)-Tetrahydropapaverine;(R)-(+)-Tetrahydropapaverine;D-(+)-Tetrahydropapaverine;R-(+)-N-Norlaudanosine; |
| Density: | 1.120 g/cm3 |
| Boiling Point: | 475.8 °C at 760 mmHg |
| Flash Point: | 202.7 °C |
| PSA: | 48.95000 |
| LogP: | 3.47930 |
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Specification
This chemical is called (R)-(+)-Tetrahydropapaverine, and its systematic name is 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline. With the molecular formula of C20H25NO4, its molecular weight is 343.42. The CAS registry number of this chemical is 50896-90-7, and its product categories are Heterocyclic Compounds; Chirals.
Other characteristics of the (R)-(+)-Tetrahydropapaverine can be summarised as followings: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.53; (7)ACD/KOC (pH 5.5): 1.44; (8)ACD/KOC (pH 7.4): 51.23; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 40.16 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 97.65 cm3; (15)Molar Volume: 306.6 cm3; (16)Polarizability: 38.71×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 202.7 °C; (20)Enthalpy of Vaporization: 73.93 kJ/mol; (21)Boiling Point: 475.8 °C at 760 mmHg; (22)Vapour Pressure: 3.23E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1OC)CC3c2c(cc(OC)c(OC)c2)CCN3)C
(2)InChI: InChI=1/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3 (3)InChIKey: YXWQTVWJNHKSCC-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3
(5)Std. InChIKey: YXWQTVWJNHKSCC-UHFFFAOYSA-N