Cas no 5452-77-7 ( )
structure
Product Name:
CAS No:5452-77-7
MF:C10H19NO
MW:169.263962984085
CID:941733
PubChem ID:227416
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-cyclooctylacetamide
- AC1L5FH8
- AC1Q5J7C
- AG-J-08857
- AR-1E0996
- CTK5A1456
- Cyclooctaneacetamide
- NSC18988
- NSC-18988
- 5452-77-7
- DTXSID20280887
- UNII-6QV3QUX6M3
- 6QV3QUX6M3
-
-
- Inchi： 1S/C10H19NO/c11-10(12)8-9-6-4-2-1-3-5-7-9/h9H,1-8H2,(H2,11,12)
- InChI Key： VOJPCZRBYOSYOA-UHFFFAOYSA-N
- SMILES： O=C(CC1CCCCCCC1)N
Computed Properties
- Exact Mass: 169.14677
- Monoisotopic Mass: 169.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 137
- 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: 2.9
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- Density: 0.938
- Boiling Point: 331.9°C at 760 mmHg
- Flash Point: 154.5°C
- Refractive Index: 1.464
- PSA: 43.09
Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
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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