Cas no 114609-80-2 (1-dodecylazepane-2,7-dione)
1-dodecylazepane-2,7-dione structure
Product Name:1-dodecylazepane-2,7-dione
CAS No:114609-80-2
MF:C18H33NO2
MW:295.460125684738
CID:2613174
PubChem ID:9904244
Update Time:2025-04-21
1-dodecylazepane-2,7-dione Chemical and Physical Properties
Names and Identifiers
-
- 1-dodecylazepane-2,7-dione
- SCHEMBL7743712
- DTXSID60432646
- 114609-80-2
- 1H-Azepine-2,7-dione, 1-dodecyltetrahydro-
-
- Inchi： 1S/C18H33NO2/c1-2-3-4-5-6-7-8-9-10-13-16-19-17(20)14-11-12-15-18(19)21/h2-16H2,1H3
- InChI Key： CNNNWFYURNLRDO-UHFFFAOYSA-N
- SMILES： O=C1CCCCC(N1CCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 295.251129295Da
- Monoisotopic Mass: 295.251129295Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 11
- Complexity: 284
- 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: 5.4
- Topological Polar Surface Area: 37.4?2
1-dodecylazepane-2,7-dione Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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