Cas no 5515-03-7 (2H-Azepin-2-one, hexahydro-1-(1-oxopropyl)-)
5515-03-7 structure
Product Name:2H-Azepin-2-one, hexahydro-1-(1-oxopropyl)-
CAS No:5515-03-7
MF:C9H15NO2
MW:169.220902681351
CID:352711
PubChem ID:21813141
Update Time:2025-04-19
2H-Azepin-2-one, hexahydro-1-(1-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Azepin-2-one, hexahydro-1-(1-oxopropyl)-
- SCHEMBL6028381
- 5515-03-7
- DTXSID70618313
- 1-Propanoylazepan-2-one
-
- Inchi： 1S/C9H15NO2/c1-2-8(11)10-7-5-3-4-6-9(10)12/h2-7H2,1H3
- InChI Key： VGTSJKBOTYPCLW-UHFFFAOYSA-N
- SMILES： O=C1CCCCCN1C(CC)=O
Computed Properties
- Exact Mass: 169.11035
- Monoisotopic Mass: 169.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 189
- 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: 1.5
- Topological Polar Surface Area: 37.4?2
Experimental Properties
- PSA: 37.38
2H-Azepin-2-one, hexahydro-1-(1-oxopropyl)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
5515-03-7 (2H-Azepin-2-one, hexahydro-1-(1-oxopropyl)-) Related Products
- 2687-91-4(N-Ethylpyrrolidinone)
- 3352-87-2(N,N-Diethyldodecanamide)
- 1121-07-9(N-Methylsuccinimide)
- 1888-91-1(N-Acetylcaprolactam)
- 2687-94-7(1-Octyl-2-pyrrolidone)
- 2687-96-9(1-Dodecyl-2-pyrrolidinone)
- 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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