Cas no 96548-58-2 (N,N'-(Hexane-1,6-diyl)didocosanamide)
96548-58-2 structure
Product Name:N,N'-(Hexane-1,6-diyl)didocosanamide
CAS No:96548-58-2
MF:C50H100N2O2
MW:761.341216087341
CID:2819968
PubChem ID:18472040
Update Time:2025-04-21
N,N'-(Hexane-1,6-diyl)didocosanamide Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL425136
- 96548-58-2
- DTXSID40594190
- N,N'-(Hexane-1,6-diyl)didocosanamide
- NLYBLDAYIHAXCL-UHFFFAOYSA-N
-
- Inchi： 1S/C50H100N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-45-49(53)51-47-43-39-40-44-48-52-50(54)46-42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3,(H,51,53)(H,52,54)
- InChI Key： NLYBLDAYIHAXCL-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCCCCCCCCCCCC)NCCCCCCNC(CCCCCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 760.77848044Da
- Monoisotopic Mass: 760.77848044Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 54
- Rotatable Bond Count: 47
- 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: 21.4
- Topological Polar Surface Area: 58.2?2
N,N'-(Hexane-1,6-diyl)didocosanamide Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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