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Basic Information
CAS No.: 13900-12-4
Name: 2-DIETHYLAMINOETHYL 2-PHENYLBUTYRATE CITRATE SALT
Molecular Structure:
Molecular Structure of 13900-12-4 (2-DIETHYLAMINOETHYL 2-PHENYLBUTYRATE CITRATE SALT)
Formula: C22H33NO9
Molecular Weight: 455.5
Synonyms: Diethyl(2-(2-phenylbutyroyloxy)ethyl)ammonium dihydrogen citrate;Butethamate citrate;
EINECS: 237-671-6
Density: 0.99g/cm3
Boiling Point: 348°Cat760mmHg
Flash Point: 110.3°C
Safety:
WGK Germany 3
PSA: 161.67000
LogP: 1.81670
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    Business Type:Trading Company

    Tel:+86-0571-56263321

    Address:hangzhou

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  • 13900-12-4

  • Casno:

    13900-12-4

    13900-12-4

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Supply top quality products with a reasonable price Application:api

    Hebei Ruishun Trade Co.,Ltd registered capital one million, we have a production of pharmaceutical raw materials, pharmaceutical raw materials factory reagent r&d center, we do

  • Hebei Ruishun Trade Co.,Ltd

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-311-68037669

    Address:WanDa commerce building ,yuhua district

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  • Butetamatedihydrogencitrate

  • Casno:

    13900-12-4

    Butetamatedihydrogencitrate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Our company provides the best service for our customers. Under the premise of ensuring quality and delivery date, give customers the best price. The company is more willing to meet our customers. If you want to visit our factories and warehouses, we

  • Sparrow Chemical Co.,Ltd

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:86-531-67865410

    Address:Jinan City,Shandong Province,China

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  • beta-Diethylaminoethyl-2-phenylbutyrate

  • Casno:

    13900-12-4

    beta-Diethylaminoethyl-2-phenylbutyrate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    beta-Diethylaminoethyl-2-phenylbutyrateAppearance:Off white to slight yellow solid Storage:Stored in shaded, cool and dry places Package:1L 5L 10L 25L bottle Application:pharma intermediate Transportation:Handle with cares to avoid damaging the packa

  • Chemical Co.Ltd

    China (Mainland)  |  Contact Details

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Specification

The Butethamate citrate, with the CAS registry number 13900-12-4. It belongs to the product categories of Chemical industry plastics. Its EINECS number is 237-671-6. This chemical's molecular formula is C22H31NO9 and molecular weight is 453.48. What's more, its systematic name is diethyl-[2-(2-phenylbutanoyloxy)ethyl]ammonium citrate.

Physical properties about Butethamate citrate are:(1)ACD/LogP: 2.341; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 10; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 15; (6)Flash Point: 294.4 °C; (7)Enthalpy of Vaporization: 89.05 kJ/mol; (8)Boiling Point: 563.1 °C at 760 mmHg; (9)Vapour Pressure: 1.61E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CCC(C(=O)OCC[NH+](CC)CC)c1ccccc1.[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O;
(2)InChI:InChI=1S/C16H25NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2;
(3)InChIKey:VVNURWKSPYZZCI-UHFFFAOYSA-L.