Cas no 54805-33-3 (2H-Azonin-2-one, octahydro-1-(phenylmethyl)-)
54805-33-3 structure
Product Name:2H-Azonin-2-one, octahydro-1-(phenylmethyl)-
CAS No:54805-33-3
MF:C15H21NO
MW:231.333344221115
CID:1590955
PubChem ID:5086638
Update Time:2025-04-21
2H-Azonin-2-one, octahydro-1-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Azonin-2-one, octahydro-1-(phenylmethyl)-
- 1-benzylazonan-2-one
- N-Benzylcapryllactam
- DTXSID10408194
- SMR000475917
- CHEMBL1882640
- HMS2790E11
- 1-benzyl-2-azonanone
- 54805-33-3
- MLS001178576
-
- Inchi： 1S/C15H21NO/c17-15-11-7-2-1-3-8-12-16(15)13-14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2
- InChI Key： LAGHEIZTIDCWHS-UHFFFAOYSA-N
- SMILES： O=C1CCCCCCCN1CC1C=CC=CC=1
Computed Properties
- Exact Mass: 231.16243
- Monoisotopic Mass: 231.162314293g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 233
- 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: 3
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
2H-Azonin-2-one, octahydro-1-(phenylmethyl)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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