Cas no 34331-80-1 (Oxazole,2-heptadecyl-4,5-dihydro-4,4-dimethyl-)
34331-80-1 structure
Product Name:Oxazole,2-heptadecyl-4,5-dihydro-4,4-dimethyl-
CAS No:34331-80-1
MF:C22H43NO
MW:337.582926988602
CID:314379
PubChem ID:226850
Update Time:2025-04-19
Oxazole,2-heptadecyl-4,5-dihydro-4,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Oxazole,2-heptadecyl-4,5-dihydro-4,4-dimethyl-
- 2-heptadecyl-4,4-dimethyl-5H-1,3-oxazole
- 2-heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole
- 4,4-dimethyl-2-heptadecyl-2-oxazoline
- AC1L5F2D
- AC1Q4UGZ
- AG-K-28448
- AR-1E1987
- CTK4H2159
- NSC17728
- SureCN9787850
- DTXSID30280636
- NSC-17728
- SCHEMBL9787850
- 34331-80-1
- Octadecanoic acid, DMOX derivative
-
- Inchi: 1S/C22H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h4-20H2,1-3H3
- InChI Key: NVSOSXIRJQBCAP-UHFFFAOYSA-N
- SMILES: O1C(CCCCCCCCCCCCCCCCC)=NC(C)(C)C1
Computed Properties
- Exact Mass: 337.33469
- Monoisotopic Mass: 337.334
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 16
- Complexity: 322
- 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: 8.8
- Topological Polar Surface Area: 21.6?2
Experimental Properties
- Density: 0.9
- Boiling Point: 412.7°Cat760mmHg
- Flash Point: 149°C
- Refractive Index: 1.48
- PSA: 21.59
Oxazole,2-heptadecyl-4,5-dihydro-4,4-dimethyl- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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