Cas no 674792-25-7 ((2R)-7-ethyl-2-methyl-1,4-diazepan-5-one)
674792-25-7 structure
Product Name:(2R)-7-ethyl-2-methyl-1,4-diazepan-5-one
CAS No:674792-25-7
MF:C8H16N2O
MW:156.225441932678
CID:2851176
PubChem ID:58602485
Update Time:2025-04-21
(2R)-7-ethyl-2-methyl-1,4-diazepan-5-one Chemical and Physical Properties
Names and Identifiers
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- SCHEMBL14085929
- DTXSID00729466
- 674792-25-7
- (2R)-7-ethyl-2-methyl-1,4-diazepan-5-one
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- Inchi: 1S/C8H16N2O/c1-3-7-4-8(11)9-5-6(2)10-7/h6-7,10H,3-5H2,1-2H3,(H,9,11)/t6-,7?/m1/s1
- InChI Key: ZNXCAWRAOUSGFM-ULUSZKPHSA-N
- SMILES: O=C1CC(CC)N[C@H](C)CN1
Computed Properties
- Exact Mass: 156.126263138Da
- Monoisotopic Mass: 156.126263138Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 41.1?2
(2R)-7-ethyl-2-methyl-1,4-diazepan-5-one Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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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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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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