Cas no 57547-84-9 (1-(azepan-1-yl)tetradecan-1-one)
57547-84-9 structure
Product Name:1-(azepan-1-yl)tetradecan-1-one
CAS No:57547-84-9
MF:C20H39NO
MW:309.529766321182
CID:1604942
PubChem ID:246826
Update Time:2025-04-21
1-(azepan-1-yl)tetradecan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(azepan-1-yl)tetradecan-1-one
- NSC60367
- AC1L6IXQ
- SureCN3752579
- NCIOpen2_007745
- AC1Q5K66
- CTK5A7054
- KST-1B6766
- AR-1B2664
- NSC60367; AC1L6IXQ; SureCN3752579; NCIOpen2_007745; AC1Q5K66; CTK5A7054; KST-1B6766; AR-1B2664;
- RGLSXODCHCGASK-UHFFFAOYSA-N
- 1-Tetradecanone, 1-(hexahydro-1H-azepin-1-yl)-
- NSC-60367
- SCHEMBL3752579
- 57547-84-9
- DTXSID40289337
- AKOS005284354
-
- Inchi： 1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-20(22)21-18-15-12-13-16-19-21/h2-19H2,1H3
- InChI Key： RGLSXODCHCGASK-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCCCC)N1CCCCCC1
Computed Properties
- Exact Mass: 309.30337
- Monoisotopic Mass: 309.303164868g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 12
- Complexity: 256
- 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: 7.2
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
1-(azepan-1-yl)tetradecan-1-one Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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4. 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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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