528-31-4
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Basic information
- Product Name: 1,1'-[(2,4-Diphenyl-1,3-cyclobutanediyl)dicarbonyl]bis[1,2,3,4-tetrahydro-5-(2-piperidinyl)pyridine]
- Synonyms: 1,1'-[(2,4-Diphenyl-1,3-cyclobutanediyl)dicarbonyl]bis[1,2,3,4-tetrahydro-5-(2-piperidinyl)pyridine];Santiaguine
- CAS NO:528-31-4
- Molecular Formula: C38H48N4O2
- Molecular Weight: 592.8133
- EINECS: N/A
- Product Categories: N/A
- Mol File: 528-31-4.mol
- Article Data: 0
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Chemical Properties
- Melting Point: 235-236 °C
- Boiling Point: 805.2°Cat760mmHg
- Flash Point: 440.8°C
- Appearance: /
- Density: 1.176g/cm3
- Vapor Pressure: 5.81E-26mmHg at 25°C
- Refractive Index: 1.606
- Storage Temp.: N/A
- Solubility: N/A
- PKA: 10.59±0.10(Predicted)
- CAS DataBase Reference: 1,1'-[(2,4-Diphenyl-1,3-cyclobutanediyl)dicarbonyl]bis[1,2,3,4-tetrahydro-5-(2-piperidinyl)pyridine](CAS DataBase Reference)
- NIST Chemistry Reference: 1,1'-[(2,4-Diphenyl-1,3-cyclobutanediyl)dicarbonyl]bis[1,2,3,4-tetrahydro-5-(2-piperidinyl)pyridine](528-31-4)
- EPA Substance Registry System: 1,1'-[(2,4-Diphenyl-1,3-cyclobutanediyl)dicarbonyl]bis[1,2,3,4-tetrahydro-5-(2-piperidinyl)pyridine](528-31-4)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 528-31-4(Hazardous Substances Data)
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Description
A constituent of Adenocarpus intermedius, this alkaloid crystallizes from EtOH as colourless crystals. The base was originally given the reduced formula C19H240N2 and m.p. 235-6°C by Ribas and Talarid. It has [α]17D + 3.3° (c 0.368, EtOH) and forms a series of crystalline salts including the hydrochloride sesquihydrate, m.p. 238°C when crystallized from H20 and m.p. 241°C from EtOH; hydrobromide monohydrate, m.p. 244-253°C; hydriodide monohydrate, m.p. 241-2°C; perchlorate, m.p. 244-5°C (dec.); aurichloride, m.p. 150-l°C (dec.); platinichloride sesquihydrate, m.p. 226-7°C (dec.) and the picrate, m.p. 285°C.References
Ribas, Talarid., Mon. farm. y terap (Madrid), 56,377 (1950) Dominguez, Mendez, Ribas., Anales Real. Soc. Espan. Fis. Quim. (Madrid), 52B, 133 (1956) Biosynthesis: O'Donovan, Creedon., J. Chern. Soc., C, 1604 (1971)Check Digit Verification of cas no
The CAS Registry Mumber 528-31-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,2 and 8 respectively; the second part has 2 digits, 3 and 1 respectively.Calculate Digit Verification of CAS Registry Number 528-31:
(5*5)+(4*2)+(3*8)+(2*3)+(1*1)=64
64 % 10 = 4
So 528-31-4 is a valid CAS Registry Number.
InChI:InChI=1/C38H48N4O2/c43-37(41-23-11-17-29(25-41)31-19-7-9-21-39-31)35-33(27-13-3-1-4-14-27)36(34(35)28-15-5-2-6-16-28)38(44)42-24-12-18-30(26-42)32-20-8-10-22-40-32/h1-6,13-16,25-26,31-36,39-40H,7-12,17-24H2/t31-,32-,33?,34?,35?,36?/m1/s1
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1,1'-[(2,4-Diphenyl-1,3-cyclobutanediyl)dicarbonyl]bis[1,2,3,4-tetrahydro-5-(2-piperidinyl)pyridine]
