Cas no 753452-44-7 (Pyrido[1,2-a]azepin-6(4H)-one,1,9,10,10a-tetrahydro-)
![Pyrido[1,2-a]azepin-6(4H)-one,1,9,10,10a-tetrahydro- structure](https://ossimg.kuujia.com/scimg/753500/753452-44-7x500.png)
753452-44-7 structure
Product Name:Pyrido[1,2-a]azepin-6(4H)-one,1,9,10,10a-tetrahydro-
CAS No:753452-44-7
MF:C10H13NO
MW:163.216322660446
CID:561844
PubChem ID:45088762
Update Time:2025-04-19
Pyrido[1,2-a]azepin-6(4H)-one,1,9,10,10a-tetrahydro- Chemical and Physical Properties
Names and Identifiers
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- Pyrido[1,2-a]azepin-6(4H)-one,1,9,10,10a-tetrahydro-
- Pyrido[1,2-a]azepin-6(4H)-one, 1,9,10,10a-tetrahydro- (9CI)
- 753452-44-7
- Pyrido[1,2-a]azepin-6(4H)-one,1,9,10,10a-tetrahydro-(9ci)
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- Inchi： 1S/C10H13NO/c12-10-7-2-1-5-9-6-3-4-8-11(9)10/h2-4,7,9H,1,5-6,8H2
- InChI Key： UULMJXPXAOCQMH-UHFFFAOYSA-N
- SMILES： O=C1C=CCCC2CC=CCN21
Computed Properties
- Exact Mass: 163.09979
- Monoisotopic Mass: 163.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 242
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.3A^2
- XLogP3: 1.4
Experimental Properties
- PSA: 20.31
Pyrido[1,2-a]azepin-6(4H)-one,1,9,10,10a-tetrahydro- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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