Cas no 68180-21-2 (9H-Purine,6-chloro-9-octadecyl-)
68180-21-2 structure
Product Name:9H-Purine,6-chloro-9-octadecyl-
CAS No:68180-21-2
MF:C23H39ClN4
MW:407.035564661026
CID:520575
PubChem ID:319176
Update Time:2025-04-19
9H-Purine,6-chloro-9-octadecyl- Chemical and Physical Properties
Names and Identifiers
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- 9H-Purine,6-chloro-9-octadecyl-
- 6-chloro-9-octadecylpurine
- NSC-260871
- 68180-21-2
- NSC260871
- DTXSID60312737
-
- Inchi: 1S/C23H39ClN4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-20-27-21-22(24)25-19-26-23(21)28/h19-20H,2-18H2,1H3
- InChI Key: RKDHBFHIJFZQOR-UHFFFAOYSA-N
- SMILES: ClC1=C2C(=NC=N1)N(C=N2)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 406.286325
- Monoisotopic Mass: 406.286325
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 28
- Rotatable Bond Count: 17
- Complexity: 369
- 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: 10.1
- Topological Polar Surface Area: 43.6
Experimental Properties
- Density: 1.07
- Boiling Point: 520.7°C at 760 mmHg
- Flash Point: 268.7°C
- Refractive Index: 1.551
9H-Purine,6-chloro-9-octadecyl- Related Literature
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2. 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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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