Cas no 65848-45-5 (1H-Azepine-1-carboxaldehyde, hexahydro-2-oxo- (9CI))
65848-45-5 structure
Product Name:1H-Azepine-1-carboxaldehyde, hexahydro-2-oxo- (9CI)
CAS No:65848-45-5
MF:C7H11NO2
MW:141.167742013931
CID:851890
PubChem ID:12939450
Update Time:2025-04-19
1H-Azepine-1-carboxaldehyde, hexahydro-2-oxo- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Azepine-1-carboxaldehyde, hexahydro-2-oxo- (9CI)
- 2-oxoazepane-1-carbaldehyde
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- Inchi: 1S/C7H11NO2/c9-6-8-5-3-1-2-4-7(8)10/h6H,1-5H2
- InChI Key: JXBZNUBZEPHBIC-UHFFFAOYSA-N
- SMILES: O=C1CCCCCN1C=O
Computed Properties
- Exact Mass: 141.078978594g/mol
- Monoisotopic Mass: 141.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 145
- 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: 0.3
- Topological Polar Surface Area: 37.4?2
1H-Azepine-1-carboxaldehyde, hexahydro-2-oxo- (9CI) Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
65848-45-5 (1H-Azepine-1-carboxaldehyde, hexahydro-2-oxo- (9CI)) Related Products
- 2687-91-4(N-Ethylpyrrolidinone)
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- 1121-07-9(N-Methylsuccinimide)
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- 2687-94-7(1-Octyl-2-pyrrolidone)
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- 2556-73-2(N-Methylcaprolactam)
- 3470-98-2(1-Butylpyrrolidin-2-one)
- 872-50-4(N-Methylpyrrolidone)
- 59227-89-3(Laurocapram)
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