Cas no 213816-46-7 (Urea, N,N''-trans-1,4-cyclohexanediylbis[N'-octadecyl-)
213816-46-7 structure
Product Name:Urea, N,N''-trans-1,4-cyclohexanediylbis[N'-octadecyl-
CAS No:213816-46-7
MF:C44H88N4O2
MW:705.195133209229
CID:1400657
PubChem ID:71358288
Update Time:2025-04-20
Urea, N,N''-trans-1,4-cyclohexanediylbis[N'-octadecyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-octadecyl-3-[4-(octadecylcarbamoylamino)cyclohexyl]urea
- 213816-46-7
- DTXSID50782304
- N,N'-Cyclohexane-1,4-diylbis(N'-octadecylurea)
- Urea, N,N''-trans-1,4-cyclohexanediylbis[N'-octadecyl-
-
- Inchi： 1S/C44H88N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-45-43(49)47-41-35-37-42(38-36-41)48-44(50)46-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-42H,3-40H2,1-2H3,(H2,45,47,49)(H2,46,48,50)
- InChI Key： JEJUAHJQMHBCQP-UHFFFAOYSA-N
- SMILES： O=C(NCCCCCCCCCCCCCCCCCC)NC1CCC(CC1)NC(NCCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 704.69124
- Monoisotopic Mass: 704.69072806g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 50
- Rotatable Bond Count: 36
- Complexity: 665
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 17.5
- Topological Polar Surface Area: 82.3?2
Experimental Properties
- PSA: 82.26
Urea, N,N''-trans-1,4-cyclohexanediylbis[N'-octadecyl- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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