Cas no 184366-47-0 (1H-Azepine-2-carboxylic acid, hexahydro-7-oxo-, methyl ester)
184366-47-0 structure
Product Name:1H-Azepine-2-carboxylic acid, hexahydro-7-oxo-, methyl ester
CAS No:184366-47-0
MF:C8H13NO3
MW:171.193722486496
CID:1382211
Update Time:2024-08-16
1H-Azepine-2-carboxylic acid, hexahydro-7-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Azepine-2-carboxylic acid, hexahydro-7-oxo-, methyl ester
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- Inchi： 1S/C8H13NO3/c1-12-8(11)6-4-2-3-5-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)
- InChI Key： ZISGAJMUNDAMJM-UHFFFAOYSA-N
- SMILES： N1C(=O)CCCCC1C(OC)=O
Computed Properties
- Exact Mass: 171.08959
Experimental Properties
- Density: 1.109±0.06 g/cm3(Predicted)
- Boiling Point: 328.9±35.0 °C(Predicted)
- PSA: 55.4
- pka: 14.76±0.40(Predicted)
1H-Azepine-2-carboxylic acid, hexahydro-7-oxo-, methyl ester Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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