Cas no 61479-31-0 (5H-Pyrido[3,2-c]azepin-5-one, 6,7,8,9-tetrahydro-)
![5H-Pyrido[3,2-c]azepin-5-one, 6,7,8,9-tetrahydro- structure](https://ossimg.kuujia.com/scimg/61500/61479-31-0x500.png)
61479-31-0 structure
Product Name:5H-Pyrido[3,2-c]azepin-5-one, 6,7,8,9-tetrahydro-
CAS No:61479-31-0
MF:C9H10N2O
MW:162.188501834869
CID:477864
PubChem ID:12283027
Update Time:2025-04-19
5H-Pyrido[3,2-c]azepin-5-one, 6,7,8,9-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 5H-Pyrido[3,2-c]azepin-5-one, 6,7,8,9-tetrahydro-
- 6,7,8,9-tetrahydropyrido[3,2-c]azepin-5-one
- SCHEMBL2715285
- DTXSID20484166
- 61479-31-0
- 6,7,8,9-tetrahydro-5h-pyrido[3,2-c]azepin-5-one
-
- Inchi： 1S/C9H10N2O/c12-9-7-3-1-5-10-8(7)4-2-6-11-9/h1,3,5H,2,4,6H2,(H,11,12)
- InChI Key： SWIOFAIBUVGZGT-UHFFFAOYSA-N
- SMILES： O=C1C2=CC=CN=C2CCCN1
Computed Properties
- Exact Mass: 162.0794
- Monoisotopic Mass: 162.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 181
- 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: 0.6
- Topological Polar Surface Area: 42?2
Experimental Properties
- PSA: 41.99
5H-Pyrido[3,2-c]azepin-5-one, 6,7,8,9-tetrahydro- Related Literature
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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