Cas no 54127-65-0 (3-Pyridinecarboxamide, 5,6-dichloro-N-hexyl-)
54127-65-0 structure
Product Name:3-Pyridinecarboxamide, 5,6-dichloro-N-hexyl-
CAS No:54127-65-0
MF:C12H16Cl2N2O
MW:275.174241065979
CID:355406
PubChem ID:20483488
Update Time:2025-04-19
3-Pyridinecarboxamide, 5,6-dichloro-N-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxamide, 5,6-dichloro-N-hexyl-
- 5,6-dichloro-N-hexylpyridine-3-carboxamide
- AKOS009124396
- DTXSID30607864
- SCHEMBL11147008
- 54127-65-0
-
- Inchi： 1S/C12H16Cl2N2O/c1-2-3-4-5-6-15-12(17)9-7-10(13)11(14)16-8-9/h7-8H,2-6H2,1H3,(H,15,17)
- InChI Key： PXYVNTRVKCTRCO-UHFFFAOYSA-N
- SMILES： ClC1=C(N=CC(=C1)C(NCCCCCC)=O)Cl
Computed Properties
- Exact Mass: 274.06418
- Monoisotopic Mass: 274.0639685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 239
- 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: 4.1
- Topological Polar Surface Area: 42?2
Experimental Properties
- PSA: 41.99
3-Pyridinecarboxamide, 5,6-dichloro-N-hexyl- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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