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13074-31-2

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Basic Information
CAS No.: 13074-31-2
Name: (+/-)-Tetrahydropapaverine
Article Data: 56
Molecular Structure:
Molecular Structure of 13074-31-2 ((+/-)-Tetrahydropapaverine)
Formula: C20H25NO4
Molecular Weight: 343.423
Synonyms: 1,2,3,4-Tetrahydropapaverine;1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;Tetrahydropapaverine;Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratryl- (7CI,8CI);
EINECS: 235-968-5
Density: 1.12 g/cm3
Boiling Point: 475.756 °C at 760 mmHg
Flash Point: 202.678 °C
PSA: 48.95000
LogP: 3.47930
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Chemistry

Systematic Name: 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Synonyms of (+/-)-Tetrahydropapaverine (CAS NO.13074-31-2): 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline ; 1,2,3,4-tetrahydro-6,7-dimethoxy-
CAS NO: 13074-31-2
Molecular Formula: C20H25NO4
Molecular Weight: 343.42
Molecular Structure:
EINECS: 235-968-5
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 40.16 Å2
Index of Refraction: 1.549
Molar Refractivity: 97.65 cm3
Molar Volume: 306.6 cm3
Surface Tension: 38.5 dyne/cm
Density: 1.12 g/cm3
Flash Point: 202.7 °C
Enthalpy of Vaporization: 73.93 kJ/mol
Boiling Point: 475.8 °C at 760 mmHg
Vapour Pressure: 3.23E-09 mmHg at 25°C
Product Categories: Miscellaneous Natural Products
SMILES: O(c1ccc(cc1OC)CC3c2c(cc(OC)c(OC)c2)CCN3)C
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
InChIKey: YXWQTVWJNHKSCC-UHFFFAOYAJ
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
Std. InChIKey: YXWQTVWJNHKSCC-UHFFFAOYSA-N