Cas no 118950-97-3 (1H-Azepine-2-carboxamide,hexahydro-7-oxo-)
118950-97-3 structure
Product Name:1H-Azepine-2-carboxamide,hexahydro-7-oxo-
CAS No:118950-97-3
MF:C7H12N2O2
MW:156.182381629944
CID:132025
PubChem ID:15066220
Update Time:2025-04-19
1H-Azepine-2-carboxamide,hexahydro-7-oxo- Chemical and Physical Properties
Names and Identifiers
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- 1H-Azepine-2-carboxamide,hexahydro-7-oxo-
- 1H-Azepine-2-carboxamide,hexahydro-7-oxo-(9CI)
- SCHEMBL10751453
- 7-Oxoazepane-2-carboxamide
- 118950-97-3
- 7-oxo-2-azepanecarboxamide
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- Inchi： 1S/C7H12N2O2/c8-7(11)5-3-1-2-4-6(10)9-5/h5H,1-4H2,(H2,8,11)(H,9,10)
- InChI Key： OYIAQOXMUAYRAH-UHFFFAOYSA-N
- SMILES： O=C1CCCCC(C(N)=O)N1
Computed Properties
- Exact Mass: 156.08996
- Monoisotopic Mass: 156.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 179
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 72.2?2
Experimental Properties
- PSA: 72.19
1H-Azepine-2-carboxamide,hexahydro-7-oxo- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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