Cas no 16728-51-1 (Propanenitrile,3-(decyloxy)-)
Propanenitrile,3-(decyloxy)- structure
Product Name:Propanenitrile,3-(decyloxy)-
CAS No:16728-51-1
MF:C13H25NO
MW:211.343703985214
CID:168383
PubChem ID:85577
Update Time:2025-04-19
Propanenitrile,3-(decyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile,3-(decyloxy)-
- 3-(Decyloxy)propionitrile
- 3-(decyloxy)propiononitrile
- 3-(decyloxy)propanenitrile
- 3-Decoxypropanenitrile
- Einecs 240-790-6
- Propanenitrile, 3-(decyloxy)-
- VBBZORLTUCTLEO-UHFFFAOYSA-N
- NS00025486
- AKOS024390801
- SCHEMBL2879749
- 16728-51-1
- DTXSID0066113
-
- Inchi： 1S/C13H25NO/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h2-10,12-13H2,1H3
- InChI Key： VBBZORLTUCTLEO-UHFFFAOYSA-N
- SMILES： O(CCC#N)CCCCCCCCCC
Computed Properties
- Exact Mass: 211.19375
- Monoisotopic Mass: 211.193614421g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 11
- Complexity: 159
- 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: 4.3
- Topological Polar Surface Area: 33?2
Experimental Properties
- PSA: 33.02
Propanenitrile,3-(decyloxy)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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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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