Beta-Allocryptopine supplier | CasNO.24240-04-8

Name
ALLOCRYPTOPINE
EINECS
CAS No. 24240-04-8
Article Data10
CAS DataBase
Density 1.216g/cm³
Solubility
Melting Point 169-170 °C
Formula C₂₁H₂₃NO₅
Boiling Point 552.7 °C at 760 mmHg
Molecular Weight 369.417
Flash Point 288.1 °C
Transport Information
Appearance
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Fagarine I;b-Allocryptopine;g-Homochelidonine;
PSA 57.23000
LogP 2.78370

Beta-Allocryptopine Specification

The Beta-Allocryptopine, with CAS registry number 24240-04-8, has the systematic name of 3,4-dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one. Besides this, it is also called gamma-Homochelidonine. And the chemical formula of this chemical is C₂₁H₂₃NO₅.

Physical properties of Beta-Allocryptopine: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 1.76; (6)ACD/BCF (pH 7.4): 88.62; (7)ACD/KOC (pH 5.5): 11.69; (8)ACD/KOC (pH 7.4): 587.24; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.23 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 100.16 cm³; (15)Molar Volume: 303.7 cm³; (16)Polarizability: 39.7×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.216 g/cm³; (19)Flash Point: 288.1 °C; (20)Enthalpy of Vaporization: 83.34 kJ/mol; (21)Boiling Point: 552.7 °C at 760 mmHg; (22)Vapour Pressure: 2.92E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4c2c(cc1OCOc1c2)CCN(C)Cc3c(ccc(OC)c3OC)C4
(2)InChI: InChI=1/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
(3)InChIKey: HYBRYAPKQCZIAE-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
(5)Std. InChIKey: HYBRYAPKQCZIAE-UHFFFAOYSA-N

Product Name

ALLOCRYPTOPINE

Beta-Allocryptopine Specification

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