Cas no 6961-62-2 (9H-Purine,6-chloro-9-cycloheptyl-)
6961-62-2 structure
Product Name:9H-Purine,6-chloro-9-cycloheptyl-
CAS No:6961-62-2
MF:C12H15ClN4
MW:250.727300882339
CID:503281
PubChem ID:247680
Update Time:2025-04-19
9H-Purine,6-chloro-9-cycloheptyl- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine,6-chloro-9-cycloheptyl-
- 6-chloro-9-cycloheptylpurine
- 6-chloro-9-cycloheptyl-9h-purine
- AC1L6KS5
- AC1Q3SVK
- AR-1H1388
- CTK5D0616
- NSC62735
- 6961-62-2
- NSC-62735
- DTXSID90289680
-
- Inchi： 1S/C12H15ClN4/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2
- InChI Key： LWLHORDRKKHLNF-UHFFFAOYSA-N
- SMILES： ClC1C2=C(N=CN=1)N(C=N2)C1CCCCCC1
Computed Properties
- Exact Mass: 250.09875
- Monoisotopic Mass: 250.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 255
- 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: 2.3
- Topological Polar Surface Area: 43.6?2
Experimental Properties
- Density: 1.43
- Boiling Point: 416.1°C at 760 mmHg
- Flash Point: 205.5°C
- Refractive Index: 1.706
- PSA: 43.6
- LogP: 3.37500
9H-Purine,6-chloro-9-cycloheptyl- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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