Cas no 7247-96-3 (9H-Purine,6-chloro-9-octyl-)
9H-Purine,6-chloro-9-octyl- structure
Product Name:9H-Purine,6-chloro-9-octyl-
CAS No:7247-96-3
MF:C13H19ClN4
MW:266.769761323929
CID:575679
PubChem ID:246971
Update Time:2025-04-19
9H-Purine,6-chloro-9-octyl- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine,6-chloro-9-octyl-
- 6-chloro-9-octylpurine
- NSC60639
- DTXSID60289399
- 6-chloro-9-octyl-9h-purine
- 7247-96-3
- NSC-60639
-
- Inchi： 1S/C13H19ClN4/c1-2-3-4-5-6-7-8-18-10-17-11-12(14)15-9-16-13(11)18/h9-10H,2-8H2,1H3
- InChI Key： KIJQWBIFBRPOCT-UHFFFAOYSA-N
- SMILES： ClC1=C2C(=NC=N1)N(C=N2)CCCCCCCC
Computed Properties
- Exact Mass: 266.13007
- Monoisotopic Mass: 266.13
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- 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: 4.7
- Topological Polar Surface Area: 43.6?2
Experimental Properties
- Density: 1.22
- Boiling Point: 397.4°C at 760 mmHg
- Flash Point: 194.2°C
- Refractive Index: 1.602
- PSA: 43.6
9H-Purine,6-chloro-9-octyl- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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