Cas no 18494-63-8 (Methanone,(2-chlorophenyl)(hexahydro-1H-azepin-1-yl)-)
18494-63-8 structure
Product Name:Methanone,(2-chlorophenyl)(hexahydro-1H-azepin-1-yl)-
CAS No:18494-63-8
MF:C13H16ClNO
MW:237.725242614746
CID:233234
PubChem ID:245802
Update Time:2025-04-19
Methanone,(2-chlorophenyl)(hexahydro-1H-azepin-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone,(2-chlorophenyl)(hexahydro-1H-azepin-1-yl)-
- azepan-1-yl-(2-chlorophenyl)methanone
- 1-(2-chlorobenzoyl)azepane
- 1-(2-chloro-benzoyl)-azepane
- AC1L6GOZ
- AC1Q5FIM
- azepan-1-yl(2-chlorophenyl)methanone
- CBDivE_012938
- CTK4D8861
- NSC58038
- ST014407
- SureCN3456393
- SCHEMBL3456393
- 18494-63-8
- AKOS000612044
- AB00078961-01
- DTXSID20288909
- NSC-58038
- Cambridge id 5280599
-
- Inchi： 1S/C13H16ClNO/c14-12-8-4-3-7-11(12)13(16)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10H2
- InChI Key： SONJOLVUQSJDFQ-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1C(N1CCCCCC1)=O
Computed Properties
- Exact Mass: 237.09218
- Monoisotopic Mass: 237.092
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 236
- 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: 3.2
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- Density: 1.164
- Boiling Point: 377.1°Cat760mmHg
- Flash Point: 181.9°C
- Refractive Index: 1.557
- PSA: 20.31
- LogP: 3.29410
Methanone,(2-chlorophenyl)(hexahydro-1H-azepin-1-yl)- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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