Cas no 84803-55-4 (hexahydro-2h-azocine-1-acetonitrile)
84803-55-4 structure
Product Name:hexahydro-2h-azocine-1-acetonitrile
CAS No:84803-55-4
MF:C9H16N2
MW:152.236742019653
CID:889195
PubChem ID:11970868
Update Time:2025-04-19
hexahydro-2h-azocine-1-acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- hexahydro-2h-azocine-1-acetonitrile
- 2-(azocan-1-yl)acetonitrile
- 84803-55-4
- DTXSID30233844
- NS00038659
- AKOS009086876
- EINECS 284-181-3
-
- Inchi： 1S/C9H16N2/c10-6-9-11-7-4-2-1-3-5-8-11/h1-5,7-9H2
- InChI Key： HTWWMEWXLRWYHS-UHFFFAOYSA-N
- SMILES： N1(CC#N)CCCCCCC1
Computed Properties
- Exact Mass: 152.131348519g/mol
- Monoisotopic Mass: 152.131348519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 137
- 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: 1.8
- Topological Polar Surface Area: 27?2
hexahydro-2h-azocine-1-acetonitrile Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
84803-55-4 (hexahydro-2h-azocine-1-acetonitrile) Related Products
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